4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide

C19H18N4O3S — CID 142592635

IUPAC4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(SC)ncc2C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C19H18N4O3S/c1-25-15-5-4-12(10-16(15)26-2)17-14(11-21-19(23-17)27-3)18(24)22-13-6-8-20-9-7-13/h4-11H,1-3H3,(H,20,22,24)
InChIKeyGRVHGUPSEOHXGF-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.53
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide

4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 142592635) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID142592635
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(SC)ncc2C(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C19H18N4O3S/c1-25-15-5-4-12(10-16(15)26-2)17-14(11-21-19(23-17)27-3)18(24)22-13-6-8-20-9-7-13/h4-11H,1-3H3,(H,20,22,24)
InChIKeyGRVHGUPSEOHXGF-UHFFFAOYSA-N
XLogP3.53
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide (CID 142592635) is 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide is COc1ccc(-c2nc(SC)ncc2C(=O)Nc2ccncc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is GRVHGUPSEOHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-25-15-5-4-12(10-16(15)26-2)17-14(11-21-19(23-17)27-3)18(24)22-13-6-8-20-9-7-13/h4-11H,1-3H3,(H,20,22,24).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide?
4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-methylsulfanyl-N-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 142592635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).