4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one

C23H25N3O — CID 137167982

IUPAC4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccc(-c3ccc([C@@H](C)N4CCCC4)cc3)cc2)n1
InChIInChI=1S/C23H25N3O/c1-16-15-22(27)25-23(24-16)21-11-9-20(10-12-21)19-7-5-18(6-8-19)17(2)26-13-3-4-14-26/h5-12,15,17H,3-4,13-14H2,1-2H3,(H,24,25,27)/t17-/m1/s1
InChIKeyNEIVRZDQYNYLMH-QGZVFWFLSA-N
MW359.47 g/mol
LogP4.57
Rot. Bonds4

About 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one

4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one (PubChem CID 137167982) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
PubChem CID137167982
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2ccc(-c3ccc([C@@H](C)N4CCCC4)cc3)cc2)n1
InChIInChI=1S/C23H25N3O/c1-16-15-22(27)25-23(24-16)21-11-9-20(10-12-21)19-7-5-18(6-8-19)17(2)26-13-3-4-14-26/h5-12,15,17H,3-4,13-14H2,1-2H3,(H,24,25,27)/t17-/m1/s1
InChIKeyNEIVRZDQYNYLMH-QGZVFWFLSA-N
XLogP4.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one (CID 137167982) is 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2ccc(-c3ccc([C@@H](C)N4CCCC4)cc3)cc2)n1.
What is the InChIKey of 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is NEIVRZDQYNYLMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-15-22(27)25-23(24-16)21-11-9-20(10-12-21)19-7-5-18(6-8-19)17(2)26-13-3-4-14-26/h5-12,15,17H,3-4,13-14H2,1-2H3,(H,24,25,27)/t17-/m1/s1.
What are the key properties of 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one?
4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 359.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137167982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).