5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one

C11H19N5O — CID 136902408

IUPAC5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2CCCC(N)C2)nc[nH]c1=O
InChIInChI=1S/C11H19N5O/c12-8-3-1-2-7(4-8)5-14-10-9(13)11(17)16-6-15-10/h6-8H,1-5,12-13H2,(H2,14,15,16,17)
InChIKeyGDRWJUURGGJCTC-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.28
Rot. Bonds3

About 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136902408) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136902408
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2CCCC(N)C2)nc[nH]c1=O
InChIInChI=1S/C11H19N5O/c12-8-3-1-2-7(4-8)5-14-10-9(13)11(17)16-6-15-10/h6-8H,1-5,12-13H2,(H2,14,15,16,17)
InChIKeyGDRWJUURGGJCTC-UHFFFAOYSA-N
XLogP0.28
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 20276614
5-amino-2-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 20276731
4-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one
CID 136633492
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135474227
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135568323
5-amino-4-(cycloheptylamino)-1H-pyrimidin-6-one
CID 135575728
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579
5-amino-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731497
5-amino-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733816

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136902408) is 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one is Nc1c(NCC2CCCC(N)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GDRWJUURGGJCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-8-3-1-2-7(4-8)5-14-10-9(13)11(17)16-6-15-10/h6-8H,1-5,12-13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136902408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).