2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one

C23H25N3O — CID 71615090

IUPAC2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one
SMILESCc1ccc(CCc2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)cc1
InChIInChI=1S/C23H25N3O/c1-15-6-8-16(9-7-15)10-11-17-4-3-5-18(12-17)19-13-20(19)21-14-22(27)26(2)23(24)25-21/h3-9,12,14,19-20H,10-11,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1
InChIKeyRIMIWCUOCDENIJ-PMACEKPBSA-N
MW359.47 g/mol
LogP3.73
Rot. Bonds5

About 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one

2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one (PubChem CID 71615090) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one
PubChem CID71615090
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one
SMILESCc1ccc(CCc2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)cc1
InChIInChI=1S/C23H25N3O/c1-15-6-8-16(9-7-15)10-11-17-4-3-5-18(12-17)19-13-20(19)21-14-22(27)26(2)23(24)25-21/h3-9,12,14,19-20H,10-11,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1
InChIKeyRIMIWCUOCDENIJ-PMACEKPBSA-N
XLogP3.73
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one?
The IUPAC name of 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one (CID 71615090) is 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one is Cc1ccc(CCc2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)cc1.
What is the InChIKey of 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one?
The InChIKey is RIMIWCUOCDENIJ-PMACEKPBSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-6-8-16(9-7-15)10-11-17-4-3-5-18(12-17)19-13-20(19)21-14-22(27)26(2)23(24)25-21/h3-9,12,14,19-20H,10-11,13H2,1-2H3,(H2,24,25)/t19-,20-/m0/s1.
What are the key properties of 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one?
2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one has a molecular weight of 359.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-[(1S,2R)-2-[3-[2-(4-methylphenyl)ethyl]phenyl]cyclopropyl]pyrimidin-4-one is sourced from PubChem (CID 71615090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).