3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one

C19H26N4O — CID 45484945

IUPAC3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one
SMILESCc1ccccc1CCc1nc(N2CCNC[C@H]2C)cc(=O)n1C
InChIInChI=1S/C19H26N4O/c1-14-6-4-5-7-16(14)8-9-17-21-18(12-19(24)22(17)3)23-11-10-20-13-15(23)2/h4-7,12,15,20H,8-11,13H2,1-3H3/t15-/m1/s1
InChIKeyPIROQQYURKLFAS-OAHLLOKOSA-N
MW326.44 g/mol
LogP1.67
Rot. Bonds4

About 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one

3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one (PubChem CID 45484945) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one
PubChem CID45484945
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one
SMILESCc1ccccc1CCc1nc(N2CCNC[C@H]2C)cc(=O)n1C
InChIInChI=1S/C19H26N4O/c1-14-6-4-5-7-16(14)8-9-17-21-18(12-19(24)22(17)3)23-11-10-20-13-15(23)2/h4-7,12,15,20H,8-11,13H2,1-3H3/t15-/m1/s1
InChIKeyPIROQQYURKLFAS-OAHLLOKOSA-N
XLogP1.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one (CID 45484945) is 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one is Cc1ccccc1CCc1nc(N2CCNC[C@H]2C)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one?
The InChIKey is PIROQQYURKLFAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-6-4-5-7-16(14)8-9-17-21-18(12-19(24)22(17)3)23-11-10-20-13-15(23)2/h4-7,12,15,20H,8-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one?
3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one has a molecular weight of 326.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(2-methylphenyl)ethyl]-6-[(2R)-2-methylpiperazin-1-yl]pyrimidin-4-one is sourced from PubChem (CID 45484945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).