2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

C15H20N4OS — CID 80846370

IUPAC2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCCc2ccccn2)nc(SC)n1
InChIInChI=1S/C15H20N4OS/c1-3-8-17-13-11-14(19-15(18-13)21-2)20-10-7-12-6-4-5-9-16-12/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyCKSMVIGFAZNIPO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.04
Rot. Bonds8

About 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (PubChem CID 80846370) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
PubChem CID80846370
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCCc2ccccn2)nc(SC)n1
InChIInChI=1S/C15H20N4OS/c1-3-8-17-13-11-14(19-15(18-13)21-2)20-10-7-12-6-4-5-9-16-12/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,17,18,19)
InChIKeyCKSMVIGFAZNIPO-UHFFFAOYSA-N
XLogP3.04
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
6-N-methyl-2-methylsulfanyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80765777
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879362
2-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80864961
2-ethyl-6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82454039
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
N-ethyl-6-(2-pyridin-2-ylethoxy)pyrazin-2-amine
CID 80865109
4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 80767422
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107171734

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine (CID 80846370) is 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is CCCNc1cc(OCCc2ccccn2)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
The InChIKey is CKSMVIGFAZNIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-8-17-13-11-14(19-15(18-13)21-2)20-10-7-12-6-4-5-9-16-12/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine?
2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine has a molecular weight of 304.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80846370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).