[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

C18H23N5O2S — CID 131914788

IUPAC[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)nc(N)n1
InChIInChI=1S/C18H23N5O2S/c1-12(2)10-13-11-14(21-18(19)20-13)16(24)22-5-7-23(8-6-22)17(25)15-4-3-9-26-15/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,20,21)
InChIKeyFZDYQUCZYHTJPY-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.92
Rot. Bonds4

About [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 131914788) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID131914788
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)nc(N)n1
InChIInChI=1S/C18H23N5O2S/c1-12(2)10-13-11-14(21-18(19)20-13)16(24)22-5-7-23(8-6-22)17(25)15-4-3-9-26-15/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,20,21)
InChIKeyFZDYQUCZYHTJPY-UHFFFAOYSA-N
XLogP1.92
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone 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

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135088326
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 70780034
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methanone
CID 50983669
1-[1-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 26400088
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
(4-methylpiperazin-1-yl)-[6-(2-methylpropyl)-2-pyridinyl]methanone
CID 178019569
[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 120618193

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 131914788) is [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is CC(C)Cc1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)nc(N)n1.
What is the InChIKey of [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is FZDYQUCZYHTJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12(2)10-13-11-14(21-18(19)20-13)16(24)22-5-7-23(8-6-22)17(25)15-4-3-9-26-15/h3-4,9,11-12H,5-8,10H2,1-2H3,(H2,19,20,21).
What are the key properties of [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 373.48 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131914788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).