4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one

C11H17N3O — CID 136956693

IUPAC4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(CC1CC1)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O/c1-2-9(5-8-3-4-8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyJTJPJOXCITZSDI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.76
Rot. Bonds5

About 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one

4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956693) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136956693
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one
SMILESCCC(CC1CC1)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C11H17N3O/c1-2-9(5-8-3-4-8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyJTJPJOXCITZSDI-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one
CID 138058019
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(2,6-dimethylheptan-4-yldiazenyl)-1H-pyrimidin-6-one
CID 137030179
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one
CID 159090684
4-[[(1S,3S,4S)-3-ethyl-4-methylcyclopentyl]amino]-1H-pyrimidin-6-one;methane
CID 160966104
6-[(Cyclopropylmethyl)amino]-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160406
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723585

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one (CID 136956693) is 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one is CCC(CC1CC1)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is JTJPJOXCITZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9(5-8-3-4-8)14-10-6-11(15)13-7-12-10/h6-9H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one?
4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbutan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).