4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C15H17N3O — CID 136741001

IUPAC4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCc1cccc(-c2cc(=O)[nH]c(N3CCCC3)n2)c1
InChIInChI=1S/C15H17N3O/c1-11-5-4-6-12(9-11)13-10-14(19)17-15(16-13)18-7-2-3-8-18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17,19)
InChIKeyRRBCILGXSWBLGR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.35
Rot. Bonds2

About 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 136741001) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID136741001
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCc1cccc(-c2cc(=O)[nH]c(N3CCCC3)n2)c1
InChIInChI=1S/C15H17N3O/c1-11-5-4-6-12(9-11)13-10-14(19)17-15(16-13)18-7-2-3-8-18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17,19)
InChIKeyRRBCILGXSWBLGR-UHFFFAOYSA-N
XLogP2.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 136741001) is 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is Cc1cccc(-c2cc(=O)[nH]c(N3CCCC3)n2)c1.
What is the InChIKey of 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is RRBCILGXSWBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-5-4-6-12(9-11)13-10-14(19)17-15(16-13)18-7-2-3-8-18/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,17,19).
What are the key properties of 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136741001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).