5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one

C10H14ClN3O — CID 136971633

IUPAC5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CC(C)N(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H14ClN3O/c1-6-3-7(2)14(4-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyOBCFVLGVMJMBLS-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.66
Rot. Bonds1

About 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one

5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136971633) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136971633
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CC(C)N(c2nc[nH]c(=O)c2Cl)C1
InChIInChI=1S/C10H14ClN3O/c1-6-3-7(2)14(4-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15)
InChIKeyOBCFVLGVMJMBLS-UHFFFAOYSA-N
XLogP1.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-4-methylpyrrolidin-1-yl)-5-chloro-1H-pyrimidin-6-one
CID 136677205
5-chloro-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716231
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136758184
4-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136758185
5-chloro-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780970
5-chloro-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780977
5-chloro-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780984
5-chloro-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780992
5-chloro-4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781002
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136781011
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one (CID 136971633) is 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one is CC1CC(C)N(c2nc[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is OBCFVLGVMJMBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-3-7(2)14(4-6)9-8(11)10(15)13-5-12-9/h5-7H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 227.69 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).