1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

C19H23N5O3 — CID 109346002

IUPAC1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CNc2cc(C(=O)N3CCN(C(C)=O)CC3)ncn2)cc1
InChIInChI=1S/C19H23N5O3/c1-14(25)23-7-9-24(10-8-23)19(26)17-11-18(22-13-21-17)20-12-15-3-5-16(27-2)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyKUFCZGUFEQWPPF-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.40
Rot. Bonds5

About 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109346002) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109346002
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CNc2cc(C(=O)N3CCN(C(C)=O)CC3)ncn2)cc1
InChIInChI=1S/C19H23N5O3/c1-14(25)23-7-9-24(10-8-23)19(26)17-11-18(22-13-21-17)20-12-15-3-5-16(27-2)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,22)
InChIKeyKUFCZGUFEQWPPF-UHFFFAOYSA-N
XLogP1.40
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone 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

[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346006
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109340279
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341642
azepan-1-yl-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]methanone
CID 109348696
[5-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273528
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914977

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone (CID 109346002) is 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is COc1ccc(CNc2cc(C(=O)N3CCN(C(C)=O)CC3)ncn2)cc1.
What is the InChIKey of 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is KUFCZGUFEQWPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14(25)23-7-9-24(10-8-23)19(26)17-11-18(22-13-21-17)20-12-15-3-5-16(27-2)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 369.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109346002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).