3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

C9H15N5O2 — CID 136671886

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-9(2,3-5(10)15)14-7-6(11)8(16)13-4-12-7/h4H,3,11H2,1-2H3,(H2,10,15)(H2,12,13,14,16)
InChIKeyQXHQTXSTAOEVBQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.58
Rot. Bonds4

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (PubChem CID 136671886) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
PubChem CID136671886
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-9(2,3-5(10)15)14-7-6(11)8(16)13-4-12-7/h4H,3,11H2,1-2H3,(H2,10,15)(H2,12,13,14,16)
InChIKeyQXHQTXSTAOEVBQ-UHFFFAOYSA-N
XLogP-0.58
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
CID 135802457
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
CID 135709694
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136671881
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671887
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671889
5-amino-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734042
5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757150
5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757519
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136784835

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide (CID 136671886) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
The InChIKey is QXHQTXSTAOEVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-9(2,3-5(10)15)14-7-6(11)8(16)13-4-12-7/h4H,3,11H2,1-2H3,(H2,10,15)(H2,12,13,14,16).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide has a molecular weight of 225.25 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 136671886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).