dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate

C31H53ClK2N10O3 — CID 161007311

IUPACdipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate
SMILESCN(C)C[C@H]1CN(c2ncc3c(n2)CCCC3)CCN1.CN(C)C[C@H]1CNCCN1.Clc1ncc2c(n1)CCCC2.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C15H25N5.C8H9ClN2.C7H17N3.CH2O3.2K.H/c1-19(2)10-13-11-20(8-7-16-13)15-17-9-12-5-3-4-6-14(12)18-15;9-8-10-5-6-3-1-2-4-7(6)11-8;1-10(2)6-7-5-8-3-4-9-7;2-1-4-3;;;/h9,13,16H,3-8,10-11H2,1-2H3;5H,1-4H2;7-9H,3-6H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1/t13-;;7-;;;;/m0.1..../s1
InChIKeyIKPKOFUWPDACDO-GYEDUZKOSA-M
MW727.48 g/mol
LogP-5.63
Rot. Bonds6

About dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate

dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate (PubChem CID 161007311) has the molecular formula C31H53ClK2N10O3 and a molecular weight of 727.48 g/mol. Its IUPAC name is dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate
PubChem CID161007311
Molecular FormulaC31H53ClK2N10O3
Molecular Weight727.48 g/mol
Exact Mass726.33
IUPAC Namedipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate
SMILESCN(C)C[C@H]1CN(c2ncc3c(n2)CCCC3)CCN1.CN(C)C[C@H]1CNCCN1.Clc1ncc2c(n1)CCCC2.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C15H25N5.C8H9ClN2.C7H17N3.CH2O3.2K.H/c1-19(2)10-13-11-20(8-7-16-13)15-17-9-12-5-3-4-6-14(12)18-15;9-8-10-5-6-3-1-2-4-7(6)11-8;1-10(2)6-7-5-8-3-4-9-7;2-1-4-3;;;/h9,13,16H,3-8,10-11H2,1-2H3;5H,1-4H2;7-9H,3-6H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1/t13-;;7-;;;;/m0.1..../s1
InChIKeyIKPKOFUWPDACDO-GYEDUZKOSA-M
XLogP-5.63
TPSA146.73 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.48
LogP ≤ 5-5.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate with MolForge

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Related Compounds

[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanol
CID 160884465
2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 166704442
2-(3-methylpiperazin-1-yl)-7,8-dihydro-5H-borinino[4,3-d]pyrimidine-6-carbonitrile
CID 153358442
2-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 105473150
2-[2-chloro-4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-5-yl]acetaldehyde
CID 165402864
2-[4-(6-cyano-7,8-dihydro-5H-borinino[4,3-d]pyrimidin-2-yl)-2-[(dimethylamino)methyl]piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 153358400
(2S)-4-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 146223765
[1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278796
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 97164371
2-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 170573194
7-methyl-2-piperazin-1-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 14553092
(2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 158105761

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate?
The IUPAC name of dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate (CID 161007311) is dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate.
What is the SMILES notation for dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate?
The canonical SMILES for dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate is CN(C)C[C@H]1CN(c2ncc3c(n2)CCCC3)CCN1.CN(C)C[C@H]1CNCCN1.Clc1ncc2c(n1)CCCC2.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate?
The InChIKey is IKPKOFUWPDACDO-GYEDUZKOSA-M. The full InChI is InChI=1S/C15H25N5.C8H9ClN2.C7H17N3.CH2O3.2K.H/c1-19(2)10-13-11-20(8-7-16-13)15-17-9-12-5-3-4-6-14(12)18-15;9-8-10-5-6-3-1-2-4-7(6)11-8;1-10(2)6-7-5-8-3-4-9-7;2-1-4-3;;;/h9,13,16H,3-8,10-11H2,1-2H3;5H,1-4H2;7-9H,3-6H2,1-2H3;1,3H;;;/q;;;;2*+1;-1/p-1/t13-;;7-;;;;/m0.1..../s1.
What are the key properties of dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate?
dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate has a molecular weight of 727.48 g/mol, XLogP of -5.63, 6 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-chloro-5,6,7,8-tetrahydroquinazoline;N,N-dimethyl-1-[(2R)-piperazin-2-yl]methanamine;N,N-dimethyl-1-[(2S)-4-(5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-2-yl]methanamine;hydride;oxido formate is sourced from PubChem (CID 161007311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).