4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

C12H18N4O — CID 136956156

IUPAC4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCN(C3CC3)C2)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-5-11(14-8-15-12)13-6-9-3-4-16(7-9)10-1-2-10/h5,8-10H,1-4,6-7H2,(H2,13,14,15,17)
InChIKeyFXSNQIHXRBNUDY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.67
Rot. Bonds4

About 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956156) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956156
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCN(C3CC3)C2)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-5-11(14-8-15-12)13-6-9-3-4-16(7-9)10-1-2-10/h5,8-10H,1-4,6-7H2,(H2,13,14,15,17)
InChIKeyFXSNQIHXRBNUDY-UHFFFAOYSA-N
XLogP0.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thian-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136977220
4-[(1,1-dioxothiolan-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956953
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240938
4-[2-(1-methylpiperidin-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137015708
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62939854
4-(thian-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136976470
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324847
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 72907175
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
CID 137015539
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one
CID 63903892
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylpyrimidin-2-amine
CID 62959994
4-(morpholin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136979022

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136956156) is 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2CCN(C3CC3)C2)nc[nH]1.
What is the InChIKey of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is FXSNQIHXRBNUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-5-11(14-8-15-12)13-6-9-3-4-16(7-9)10-1-2-10/h5,8-10H,1-4,6-7H2,(H2,13,14,15,17).
What are the key properties of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).