4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one

C12H17N3O — CID 136973893

IUPAC4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O/c16-11-6-10(13-7-8-2-1-3-8)14-12(15-11)9-4-5-9/h6,8-9H,1-5,7H2,(H2,13,14,15,16)
InChIKeyLZPLNGOFFBWGCT-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.86
Rot. Bonds4

About 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one

4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136973893) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136973893
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H17N3O/c16-11-6-10(13-7-8-2-1-3-8)14-12(15-11)9-4-5-9/h6,8-9H,1-5,7H2,(H2,13,14,15,16)
InChIKeyLZPLNGOFFBWGCT-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974576
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-(3-cyclopropylpropylamino)-1H-pyrimidin-6-one
CID 137016695
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136973893) is 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one is O=c1cc(NCC2CCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is LZPLNGOFFBWGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-11-6-10(13-7-8-2-1-3-8)14-12(15-11)9-4-5-9/h6,8-9H,1-5,7H2,(H2,13,14,15,16).
What are the key properties of 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 219.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).