4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one

C20H26N4O3 — CID 135956802

IUPAC4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2cccc(CN3CCNC(=O)[C@@H]3C(C)C)c2)n1
InChIInChI=1S/C20H26N4O3/c1-13(2)18-20(26)21-7-8-24(18)11-14-5-4-6-15(9-14)19-22-16(12-27-3)10-17(25)23-19/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3,(H,21,26)(H,22,23,25)/t18-/m0/s1
InChIKeyBXJIKBMDRSRACP-SFHVURJKSA-N
MW370.45 g/mol
LogP1.54
Rot. Bonds6

About 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one

4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one (PubChem CID 135956802) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
PubChem CID135956802
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2cccc(CN3CCNC(=O)[C@@H]3C(C)C)c2)n1
InChIInChI=1S/C20H26N4O3/c1-13(2)18-20(26)21-7-8-24(18)11-14-5-4-6-15(9-14)19-22-16(12-27-3)10-17(25)23-19/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3,(H,21,26)(H,22,23,25)/t18-/m0/s1
InChIKeyBXJIKBMDRSRACP-SFHVURJKSA-N
XLogP1.54
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one (CID 135956802) is 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(-c2cccc(CN3CCNC(=O)[C@@H]3C(C)C)c2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is BXJIKBMDRSRACP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13(2)18-20(26)21-7-8-24(18)11-14-5-4-6-15(9-14)19-22-16(12-27-3)10-17(25)23-19/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3,(H,21,26)(H,22,23,25)/t18-/m0/s1.
What are the key properties of 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 370.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[3-[[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135956802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).