5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one

C11H19N5O — CID 136958262

IUPAC5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1N)C1CCC(N)CC1
InChIInChI=1S/C11H19N5O/c1-16(8-4-2-7(12)3-5-8)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17)
InChIKeyGUJLLFWMQGMCRR-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.06
Rot. Bonds2

About 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one

5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136958262) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136958262
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1N)C1CCC(N)CC1
InChIInChI=1S/C11H19N5O/c1-16(8-4-2-7(12)3-5-8)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17)
InChIKeyGUJLLFWMQGMCRR-UHFFFAOYSA-N
XLogP0.06
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234014
1-cyclohexyl-3-(2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)ethyl)urea
CID 71795201
2,5-diamino-4-[[(2S)-2-aminopentyl]amino]-1H-pyrimidin-6-one
CID 135524426
2,5-diamino-4-(1-aminopentylamino)-1H-pyrimidin-6-one
CID 135584213
4-(methylamino)-5-(octylamino)-1H-pyrimidin-6-one
CID 136348154
4-amino-5-(pentylamino)-1H-pyrimidin-6-one
CID 136423385
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
2,5-diamino-4-[[(1S)-1-aminopentyl]amino]-1H-pyrimidin-6-one
CID 140365223
(6R,7S)-2-amino-6,7-diethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 141827576
2-amino-8-cyclohexyl-7-ethyl-5-methyl-6,7-dihydro-3H-pteridin-4-one
CID 176170815
2,5-diamino-4-(hexylamino)-1H-pyrimidin-6-one
CID 135449031
1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea
CID 135453909

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one (CID 136958262) is 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1N)C1CCC(N)CC1.
What is the InChIKey of 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is GUJLLFWMQGMCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16(8-4-2-7(12)3-5-8)10-9(13)11(17)15-6-14-10/h6-8H,2-5,12-13H2,1H3,(H,14,15,17).
What are the key properties of 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).