5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine

C17H20N4OS — CID 54490200

IUPAC5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(CSC2CN=C(Nc3ccncc3)NC2)cc1
InChIInChI=1S/C17H20N4OS/c1-22-15-4-2-13(3-5-15)12-23-16-10-19-17(20-11-16)21-14-6-8-18-9-7-14/h2-9,16H,10-12H2,1H3,(H2,18,19,20,21)
InChIKeyXVDYZKWYTPHXSS-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.76
Rot. Bonds5

About 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine

5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 54490200) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID54490200
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(CSC2CN=C(Nc3ccncc3)NC2)cc1
InChIInChI=1S/C17H20N4OS/c1-22-15-4-2-13(3-5-15)12-23-16-10-19-17(20-11-16)21-14-6-8-18-9-7-14/h2-9,16H,10-12H2,1H3,(H2,18,19,20,21)
InChIKeyXVDYZKWYTPHXSS-UHFFFAOYSA-N
XLogP2.76
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxyphenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
CID 154447826
5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinan-2-one
CID 13332723
5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinane-2-thione
CID 54089668
4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine
CID 10242740
5-[(4-methoxyphenyl)methylsulfanyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 54570242
3-[(4-methoxyphenyl)methylsulfanyl]-8-azabicyclo[3.2.1]octane;hydrochloride
CID 68674287
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
(2S,4S)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-2-carboxamide;hydrochloride
CID 67585336
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
1-(4-methoxyphenyl)-N,N-dimethyl-N'-pyridin-4-ylethane-1,2-diamine
CID 82538540
3-[(4-methoxyphenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane
CID 19797265
3-[(4-methoxyphenyl)methylsulfanylmethyl]azetidine
CID 66289089

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 54490200) is 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(CSC2CN=C(Nc3ccncc3)NC2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is XVDYZKWYTPHXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-22-15-4-2-13(3-5-15)12-23-16-10-19-17(20-11-16)21-14-6-8-18-9-7-14/h2-9,16H,10-12H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine?
5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 328.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylsulfanyl]-N-pyridin-4-yl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 54490200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).