5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

C10H15ClN4O — CID 136974124

IUPAC5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CNc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H15ClN4O/c1-15-3-2-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyXWSIKLHADXMYHQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.79
Rot. Bonds3

About 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136974124) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136974124
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCC(CNc2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H15ClN4O/c1-15-3-2-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyXWSIKLHADXMYHQ-UHFFFAOYSA-N
XLogP0.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974113
4-(3-amino-4-methylpyrrolidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136677205
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-5-chloro-1H-pyrimidin-6-one
CID 136730852
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
5-chloro-4-[(3-methylpyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136734044
5-chloro-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752198
5-chloro-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780970
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794217
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794220
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136794226
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one (CID 136974124) is 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is CN1CCC(CNc2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is XWSIKLHADXMYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-15-3-2-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).