6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine

C13H22N4 — CID 80846461

IUPAC6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCC2(C)CCCC2)c1C
InChIInChI=1S/C13H22N4/c1-10-11(14-3)16-9-17-12(10)15-8-13(2)6-4-5-7-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyVSPANBSHMYJFSA-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.82
Rot. Bonds4

About 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80846461) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
PubChem CID80846461
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCNc1ncnc(NCC2(C)CCCC2)c1C
InChIInChI=1S/C13H22N4/c1-10-11(14-3)16-9-17-12(10)15-8-13(2)6-4-5-7-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyVSPANBSHMYJFSA-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63831983
5-ethyl-4-N-[(1-methylcyclopentyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80845667
5-bromo-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66341035
N-[(1-methylcyclopentyl)methyl]quinazolin-4-amine
CID 55261394
N-[(1-methylcyclohexyl)methyl]-7H-purin-6-amine
CID 103753762
2-methyl-3-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143795
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
6-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 63830485
N-[(1-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 114095045
6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
CID 83113894
N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 63822155
2-tert-butyl-6-hydrazinyl-5-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 81006425

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine (CID 80846461) is 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine is CNc1ncnc(NCC2(C)CCCC2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is VSPANBSHMYJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-11(14-3)16-9-17-12(10)15-8-13(2)6-4-5-7-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-[(1-methylcyclopentyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80846461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).