N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine

C14H18N4O2S — CID 58808796

IUPACN-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine
SMILESCOCC(C)Nc1cc(-c2ccnc(S(C)=O)n2)ccn1
InChIInChI=1S/C14H18N4O2S/c1-10(9-20-2)17-13-8-11(4-6-15-13)12-5-7-16-14(18-12)21(3)19/h4-8,10H,9H2,1-3H3,(H,15,17)
InChIKeyXYXPYLNRYKADNC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.72
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine

N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine (PubChem CID 58808796) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine
PubChem CID58808796
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine
SMILESCOCC(C)Nc1cc(-c2ccnc(S(C)=O)n2)ccn1
InChIInChI=1S/C14H18N4O2S/c1-10(9-20-2)17-13-8-11(4-6-15-13)12-5-7-16-14(18-12)21(3)19/h4-8,10H,9H2,1-3H3,(H,15,17)
InChIKeyXYXPYLNRYKADNC-UHFFFAOYSA-N
XLogP1.72
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine (CID 58808796) is N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine is COCC(C)Nc1cc(-c2ccnc(S(C)=O)n2)ccn1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine?
The InChIKey is XYXPYLNRYKADNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(9-20-2)17-13-8-11(4-6-15-13)12-5-7-16-14(18-12)21(3)19/h4-8,10H,9H2,1-3H3,(H,15,17).
What are the key properties of N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine?
N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine has a molecular weight of 306.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 58808796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).