1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea

C15H19N5OS — CID 90546262

IUPAC1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
SMILESCC1CCN(c2cc(NC(=O)Nc3cccs3)ncn2)CC1
InChIInChI=1S/C15H19N5OS/c1-11-4-6-20(7-5-11)13-9-12(16-10-17-13)18-15(21)19-14-3-2-8-22-14/h2-3,8-11H,4-7H2,1H3,(H2,16,17,18,19,21)
InChIKeyCCOWHASDKPWBIB-UHFFFAOYSA-N
MW317.42 g/mol
LogP3.42
Rot. Bonds3

About 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea

1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea (PubChem CID 90546262) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
PubChem CID90546262
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
SMILESCC1CCN(c2cc(NC(=O)Nc3cccs3)ncn2)CC1
InChIInChI=1S/C15H19N5OS/c1-11-4-6-20(7-5-11)13-9-12(16-10-17-13)18-15(21)19-14-3-2-8-22-14/h2-3,8-11H,4-7H2,1H3,(H2,16,17,18,19,21)
InChIKeyCCOWHASDKPWBIB-UHFFFAOYSA-N
XLogP3.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 71795031
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90546257
1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
CID 90546264
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyrazol-1-ylacetamide
CID 90546153
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108
5-cyclopropyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90546182

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea (CID 90546262) is 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea is CC1CCN(c2cc(NC(=O)Nc3cccs3)ncn2)CC1.
What is the InChIKey of 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea?
The InChIKey is CCOWHASDKPWBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-4-6-20(7-5-11)13-9-12(16-10-17-13)18-15(21)19-14-3-2-8-22-14/h2-3,8-11H,4-7H2,1H3,(H2,16,17,18,19,21).
What are the key properties of 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea?
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea has a molecular weight of 317.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea is sourced from PubChem (CID 90546262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).