2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide

C15H18N4O2S — CID 71984954

IUPAC2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C2CC2)nc(C)c1C(=O)NCc1cc(C)on1
InChIInChI=1S/C15H18N4O2S/c1-8-6-11(19-21-8)7-16-14(20)12-9(2)17-13(10-4-5-10)18-15(12)22-3/h6,10H,4-5,7H2,1-3H3,(H,16,20)
InChIKeyYMOLQKUZSKGYHB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.61
Rot. Bonds5

About 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide

2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 71984954) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID71984954
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(C2CC2)nc(C)c1C(=O)NCc1cc(C)on1
InChIInChI=1S/C15H18N4O2S/c1-8-6-11(19-21-8)7-16-14(20)12-9(2)17-13(10-4-5-10)18-15(12)22-3/h6,10H,4-5,7H2,1-3H3,(H,16,20)
InChIKeyYMOLQKUZSKGYHB-UHFFFAOYSA-N
XLogP2.61
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide (CID 71984954) is 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(C2CC2)nc(C)c1C(=O)NCc1cc(C)on1.
What is the InChIKey of 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is YMOLQKUZSKGYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-8-6-11(19-21-8)7-16-14(20)12-9(2)17-13(10-4-5-10)18-15(12)22-3/h6,10H,4-5,7H2,1-3H3,(H,16,20).
What are the key properties of 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide?
2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 71984954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).