4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine

C19H28N6+2 — CID 11888904

IUPAC4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
SMILESCc1nc(NC2=[NH+]C[NH+]([C@@H]3CCCC[C@@H]3C)CN2)nc2ccccc12
InChIInChI=1S/C19H26N6/c1-13-7-3-6-10-17(13)25-11-20-18(21-12-25)24-19-22-14(2)15-8-4-5-9-16(15)23-19/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3,(H2,20,21,22,23,24)/p+2/t13-,17+/m0/s1
InChIKeyNEEOQUZPWWKPOF-SUMWQHHRSA-P
MW340.47 g/mol
LogP-0.23
Rot. Bonds2

About 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine

4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine (PubChem CID 11888904) has the molecular formula C19H28N6+2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
PubChem CID11888904
Molecular FormulaC19H28N6+2
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
SMILESCc1nc(NC2=[NH+]C[NH+]([C@@H]3CCCC[C@@H]3C)CN2)nc2ccccc12
InChIInChI=1S/C19H26N6/c1-13-7-3-6-10-17(13)25-11-20-18(21-12-25)24-19-22-14(2)15-8-4-5-9-16(15)23-19/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3,(H2,20,21,22,23,24)/p+2/t13-,17+/m0/s1
InChIKeyNEEOQUZPWWKPOF-SUMWQHHRSA-P
XLogP-0.23
TPSA68.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-ethoxy-4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
CID 7011751
4-methyl-N-[3-[(1R,2R)-2-methylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]quinazolin-2-amine
CID 939063
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
6-methoxy-4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine
CID 6965861
3-methyl-N-(2-methylcyclohexyl)quinoxalin-2-amine
CID 60730168
4-hydroxy-5-methyl-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 788084
4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
CID 80776922
(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 29101578
N-(2-methylcycloheptyl)-2,1-benzothiazol-3-amine
CID 66355084
2-[(4-methylquinazolin-2-yl)amino]-4-(pyrimidin-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 135653218
2-[(6-bromo-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 155453165
2-cyclopropyl-4-methylquinazoline
CID 125485974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine?
The IUPAC name of 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine (CID 11888904) is 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine.
What is the SMILES notation for 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine?
The canonical SMILES for 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine is Cc1nc(NC2=[NH+]C[NH+]([C@@H]3CCCC[C@@H]3C)CN2)nc2ccccc12.
What is the InChIKey of 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine?
The InChIKey is NEEOQUZPWWKPOF-SUMWQHHRSA-P. The full InChI is InChI=1S/C19H26N6/c1-13-7-3-6-10-17(13)25-11-20-18(21-12-25)24-19-22-14(2)15-8-4-5-9-16(15)23-19/h4-5,8-9,13,17H,3,6-7,10-12H2,1-2H3,(H2,20,21,22,23,24)/p+2/t13-,17+/m0/s1.
What are the key properties of 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine?
4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine has a molecular weight of 340.47 g/mol, XLogP of -0.23, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(1R,2S)-2-methylcyclohexyl]-1,2,3,4-tetrahydro-1,3,5-triazine-3,5-diium-6-yl]quinazolin-2-amine is sourced from PubChem (CID 11888904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).