4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one

C12H18N4O — CID 136677203

IUPAC4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC1N
InChIInChI=1S/C12H18N4O/c1-7-5-16(6-9(7)13)10-4-11(17)15-12(14-10)8-2-3-8/h4,7-9H,2-3,5-6,13H2,1H3,(H,14,15,17)
InChIKeyBXZWTXFPQFESKA-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.43
Rot. Bonds2

About 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one

4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136677203) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136677203
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC1N
InChIInChI=1S/C12H18N4O/c1-7-5-16(6-9(7)13)10-4-11(17)15-12(14-10)8-2-3-8/h4,7-9H,2-3,5-6,13H2,1H3,(H,14,15,17)
InChIKeyBXZWTXFPQFESKA-UHFFFAOYSA-N
XLogP0.43
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136956171
2-ethyl-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974111
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
2-(2-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687779
2-(Azetidin-3-yl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84697781
2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136232151
2-(azetidin-3-yl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136314485
4-(dimethylamino)-2-(pyrrolidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136314511
4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512
4-(dimethylamino)-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 136326816
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
2-(2-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326818

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136677203) is 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]c(C3CC3)n2)CC1N.
What is the InChIKey of 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is BXZWTXFPQFESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-7-5-16(6-9(7)13)10-4-11(17)15-12(14-10)8-2-3-8/h4,7-9H,2-3,5-6,13H2,1H3,(H,14,15,17).
What are the key properties of 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136677203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).