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

C19H26N4O2 — CID 45484848

IUPAC6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCCOc2ccccc2)c(N2CCNC[C@H]2C)n1
InChIInChI=1S/C19H26N4O2/c1-15-13-18(24)23(10-6-12-25-17-7-4-3-5-8-17)19(21-15)22-11-9-20-14-16(22)2/h3-5,7-8,13,16,20H,6,9-12,14H2,1-2H3/t16-/m1/s1
InChIKeyMRQFLYIXMALGOO-MRXNPFEDSA-N
MW342.44 g/mol
LogP1.82
Rot. Bonds6

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

6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one (PubChem CID 45484848) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one
PubChem CID45484848
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CCCOc2ccccc2)c(N2CCNC[C@H]2C)n1
InChIInChI=1S/C19H26N4O2/c1-15-13-18(24)23(10-6-12-25-17-7-4-3-5-8-17)19(21-15)22-11-9-20-14-16(22)2/h3-5,7-8,13,16,20H,6,9-12,14H2,1-2H3/t16-/m1/s1
InChIKeyMRQFLYIXMALGOO-MRXNPFEDSA-N
XLogP1.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one (CID 45484848) is 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one is Cc1cc(=O)n(CCCOc2ccccc2)c(N2CCNC[C@H]2C)n1.
What is the InChIKey of 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one?
The InChIKey is MRQFLYIXMALGOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-13-18(24)23(10-6-12-25-17-7-4-3-5-8-17)19(21-15)22-11-9-20-14-16(22)2/h3-5,7-8,13,16,20H,6,9-12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one?
6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one has a molecular weight of 342.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2R)-2-methylpiperazin-1-yl]-3-(3-phenoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 45484848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).