2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one

C9H16N4O — CID 135474189

IUPAC2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H16N4O/c1-6(2)3-4-11-7-5-8(14)13-9(10)12-7/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13,14)
InChIKeyTURAENFRXMPIHC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.81
Rot. Bonds4

About 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one

2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one (PubChem CID 135474189) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
PubChem CID135474189
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H16N4O/c1-6(2)3-4-11-7-5-8(14)13-9(10)12-7/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13,14)
InChIKeyTURAENFRXMPIHC-UHFFFAOYSA-N
XLogP0.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
2-Amino-6-(ethylamino)pyrimidin-4(3H)-one
CID 135457118
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-butylurea
CID 136062932
4-amino-2-(1-aminopropylamino)-1H-pyrimidin-6-one
CID 136474776
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one (CID 135474189) is 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one is CC(C)CCNc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is TURAENFRXMPIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)3-4-11-7-5-8(14)13-9(10)12-7/h5-6H,3-4H2,1-2H3,(H4,10,11,12,13,14).
What are the key properties of 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one?
2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135474189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).