1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

C13H20N4O2 — CID 121035022

IUPAC1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(OC)nc(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-4-13(18)17-7-5-16(6-8-17)11-9-12(19-3)15-10(2)14-11/h9H,4-8H2,1-3H3
InChIKeyPKDHHUUSCBHHGY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.85
Rot. Bonds3

About 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one

1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 121035022) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID121035022
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(OC)nc(C)n2)CC1
InChIInChI=1S/C13H20N4O2/c1-4-13(18)17-7-5-16(6-8-17)11-9-12(19-3)15-10(2)14-11/h9H,4-8H2,1-3H3
InChIKeyPKDHHUUSCBHHGY-UHFFFAOYSA-N
XLogP0.85
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-phenylethanone
CID 121035141
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122332287
N-[2-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122332327
2-(2-fluorophenyl)-1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122332331
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122332267
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122332363
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332324
3-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122332318
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122332260
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 122332308

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 121035022) is 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(OC)nc(C)n2)CC1.
What is the InChIKey of 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is PKDHHUUSCBHHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-13(18)17-7-5-16(6-8-17)11-9-12(19-3)15-10(2)14-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one?
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 264.33 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121035022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).