[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone

C18H25N7O — CID 42926045

IUPAC[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N7O/c1-13(15-20-17(19)22-18(21-15)23(2)3)24-9-11-25(12-10-24)16(26)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyPSPXJMMWVQPAQM-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.04
Rot. Bonds4

About [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone

[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone (PubChem CID 42926045) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
PubChem CID42926045
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N7O/c1-13(15-20-17(19)22-18(21-15)23(2)3)24-9-11-25(12-10-24)16(26)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyPSPXJMMWVQPAQM-UHFFFAOYSA-N
XLogP1.04
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone with MolForge

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Related Compounds

6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34600416
2-N,2-N-dimethyl-6-[(1S)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 34709904
2-N,2-N-dimethyl-6-[1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 78860945
2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 18124256
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
3-[4-[(1S)-1-phenylethyl]piperazine-1-carbonyl]benzoic acid
CID 2050859
[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 133418335
(3,5-dichlorophenyl)-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]methanone
CID 133433566
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-phenylmethanone
CID 31537716
(3-aminophenyl)-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119894463

Frequently Asked Questions

What is the IUPAC name of [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone (CID 42926045) is [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone is CC(c1nc(N)nc(N(C)C)n1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is PSPXJMMWVQPAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-13(15-20-17(19)22-18(21-15)23(2)3)24-9-11-25(12-10-24)16(26)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H2,19,20,21,22).
What are the key properties of [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone?
[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 355.45 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 42926045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).