5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one

C12H22N4O — CID 137016260

IUPAC5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCC(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C12H22N4O/c1-8(2)5-4-6-9(3)16-11-10(13)12(17)15-7-14-11/h7-9H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyHUHKEQVCULKIGY-UHFFFAOYSA-N
MW238.34 g/mol
LogP1.98
Rot. Bonds6

About 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one

5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 137016260) has the molecular formula C12H22N4O and a molecular weight of 238.34 g/mol. Its IUPAC name is 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID137016260
Molecular FormulaC12H22N4O
Molecular Weight238.34 g/mol
Exact Mass238.18
IUPAC Name5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCC(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C12H22N4O/c1-8(2)5-4-6-9(3)16-11-10(13)12(17)15-7-14-11/h7-9H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyHUHKEQVCULKIGY-UHFFFAOYSA-N
XLogP1.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(pentan-2-ylamino)-1H-pyrimidin-6-one
CID 136973568
5-amino-4-(4-hydroxybutan-2-ylamino)-1H-pyrimidin-6-one
CID 136976716
5-amino-4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973951
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958424
5-amino-4-(1-aminopentan-3-ylamino)-1H-pyrimidin-6-one
CID 137008764
6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine
CID 63022217
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
4-(5-hydroxypentan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956973
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136912678
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one (CID 137016260) is 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one is CC(C)CCCC(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is HUHKEQVCULKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)5-4-6-9(3)16-11-10(13)12(17)15-7-14-11/h7-9H,4-6,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 238.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(6-methylheptan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137016260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).