[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone

C16H21N5OS — CID 122340190

IUPAC[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C16H21N5OS/c1-12-17-14(19(2)3)11-15(18-12)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVXZHIEUQDLBFKQ-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.87
Rot. Bonds3

About [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 122340190) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID122340190
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C16H21N5OS/c1-12-17-14(19(2)3)11-15(18-12)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVXZHIEUQDLBFKQ-UHFFFAOYSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]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

[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42473390
[4-[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 91770991
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122340350
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 122340386
(2,4-dichlorophenyl)-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340188
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122340314
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(4-pyrimidin-2-yloxyphenyl)methanone
CID 56921174
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 122340355
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122340264
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624

Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 122340190) is [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cccs3)CC2)n1.
What is the InChIKey of [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VXZHIEUQDLBFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-12-17-14(19(2)3)11-15(18-12)20-6-8-21(9-7-20)16(22)13-5-4-10-23-13/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 331.45 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 122340190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).