N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

C15H18N4S — CID 167873088

IUPACN-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NC2CSC2(C)C)cc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4S/c1-10-17-12(11-6-4-5-7-16-11)8-14(18-10)19-13-9-20-15(13,2)3/h4-8,13H,9H2,1-3H3,(H,17,18,19)
InChIKeyOJNRMHTWJLJIAF-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.15
Rot. Bonds3

About N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine

N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine (PubChem CID 167873088) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
PubChem CID167873088
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(NC2CSC2(C)C)cc(-c2ccccn2)n1
InChIInChI=1S/C15H18N4S/c1-10-17-12(11-6-4-5-7-16-11)8-14(18-10)19-13-9-20-15(13,2)3/h4-8,13H,9H2,1-3H3,(H,17,18,19)
InChIKeyOJNRMHTWJLJIAF-UHFFFAOYSA-N
XLogP3.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 154869671
2-methyl-N-[(4-methyl-2-oxabicyclo[2.2.1]heptan-1-yl)methyl]-6-pyridin-2-ylpyrimidin-4-amine
CID 167917212
N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 75454647
1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 154865732
N-[(5-cyclopropyloxolan-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 154867733
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-2-ylpyrimidin-4-amine
CID 4193041
2-[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]-1-(oxolan-2-yl)ethanol
CID 154866099
2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine
CID 154867730
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 154870329
(2R)-N-methyl-2-[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]-2-phenylacetamide
CID 154859336
2-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)ethanamine
CID 83849082
N,N-dimethyl-N'-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)-2-phenylpropane-1,3-diamine
CID 167775142

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine (CID 167873088) is N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine is Cc1nc(NC2CSC2(C)C)cc(-c2ccccn2)n1.
What is the InChIKey of N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is OJNRMHTWJLJIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10-17-12(11-6-4-5-7-16-11)8-14(18-10)19-13-9-20-15(13,2)3/h4-8,13H,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine?
N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 286.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylthietan-3-yl)-2-methyl-6-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 167873088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).