2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide

C15H17N3O2S — CID 71998230

IUPAC2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccco1
InChIInChI=1S/C15H17N3O2S/c1-9-12(14(19)16-8-11-4-3-7-20-11)15(21-2)18-13(17-9)10-5-6-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyXKXNFATWDBMWRC-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.91
Rot. Bonds5

About 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide

2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 71998230) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID71998230
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccco1
InChIInChI=1S/C15H17N3O2S/c1-9-12(14(19)16-8-11-4-3-7-20-11)15(21-2)18-13(17-9)10-5-6-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19)
InChIKeyXKXNFATWDBMWRC-UHFFFAOYSA-N
XLogP2.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide (CID 71998230) is 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(C2CC2)nc(C)c1C(=O)NCc1ccco1.
What is the InChIKey of 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is XKXNFATWDBMWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-12(14(19)16-8-11-4-3-7-20-11)15(21-2)18-13(17-9)10-5-6-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,19).
What are the key properties of 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide?
2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 71998230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).