4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

C13H22N4O — CID 136987597

IUPAC4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(CCN)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-13(2,5-6-14)8-15-10-7-11(18)17-12(16-10)9-3-4-9/h7,9H,3-6,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyLLRQLSXSPRHOFL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.43
Rot. Bonds6

About 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136987597) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136987597
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(CCN)CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-13(2,5-6-14)8-15-10-7-11(18)17-12(16-10)9-3-4-9/h7,9H,3-6,8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyLLRQLSXSPRHOFL-UHFFFAOYSA-N
XLogP1.43
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-(2-methylpentan-2-ylamino)-1H-pyrimidin-6-one
CID 136977049
4-[(1-amino-2-phenylpropan-2-yl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136803039
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857346
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136987597) is 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is CC(C)(CCN)CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is LLRQLSXSPRHOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,5-6-14)8-15-10-7-11(18)17-12(16-10)9-3-4-9/h7,9H,3-6,8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,2-dimethylbutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136987597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).