2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide

C14H15N3OS — CID 74250077

IUPAC2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)NCc1ccsc1
InChIInChI=1S/C14H15N3OS/c1-9-12(7-15-13(17-9)11-2-3-11)14(18)16-6-10-4-5-19-8-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,18)
InChIKeyJVVCTWCUVKQKFY-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.65
Rot. Bonds4

About 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide

2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 74250077) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID74250077
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)NCc1ccsc1
InChIInChI=1S/C14H15N3OS/c1-9-12(7-15-13(17-9)11-2-3-11)14(18)16-6-10-4-5-19-8-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,18)
InChIKeyJVVCTWCUVKQKFY-UHFFFAOYSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide (CID 74250077) is 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide is Cc1nc(C2CC2)ncc1C(=O)NCc1ccsc1.
What is the InChIKey of 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is JVVCTWCUVKQKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-12(7-15-13(17-9)11-2-3-11)14(18)16-6-10-4-5-19-8-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide?
2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 74250077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).