N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

C14H15N3O2S — CID 20913531

IUPACN-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(SC)nc2C)c1
InChIInChI=1S/C14H15N3O2S/c1-9-12(8-15-14(16-9)20-3)13(18)17-10-5-4-6-11(7-10)19-2/h4-8H,1-3H3,(H,17,18)
InChIKeyUCQNFIIPINRXTH-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.77
Rot. Bonds4

About N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide

N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 20913531) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID20913531
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(SC)nc2C)c1
InChIInChI=1S/C14H15N3O2S/c1-9-12(8-15-14(16-9)20-3)13(18)17-10-5-4-6-11(7-10)19-2/h4-8H,1-3H3,(H,17,18)
InChIKeyUCQNFIIPINRXTH-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 20913531) is N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is COc1cccc(NC(=O)c2cnc(SC)nc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is UCQNFIIPINRXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-12(8-15-14(16-9)20-3)13(18)17-10-5-4-6-11(7-10)19-2/h4-8H,1-3H3,(H,17,18).
What are the key properties of N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide?
N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).