5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine

C12H14N4O2S — CID 2778658

IUPAC5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1cnc(-c2cccnc2)nc1N
InChIInChI=1S/C12H14N4O2S/c1-8(2)19(17,18)10-7-15-12(16-11(10)13)9-4-3-5-14-6-9/h3-8H,1-2H3,(H2,13,15,16)
InChIKeyFLVASRDRMAICRG-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.30
Rot. Bonds3

About 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine

5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 2778658) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID2778658
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1cnc(-c2cccnc2)nc1N
InChIInChI=1S/C12H14N4O2S/c1-8(2)19(17,18)10-7-15-12(16-11(10)13)9-4-3-5-14-6-9/h3-8H,1-2H3,(H2,13,15,16)
InChIKeyFLVASRDRMAICRG-UHFFFAOYSA-N
XLogP1.30
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Methylpropane-2-sulfonyl)-2-(pyridin-2-yl)pyrimidin-4-amine
CID 2778673
5-(Isopropylsulfonyl)-2-(2-pyridyl)pyrimidin-4-amine
CID 2778653
Tasuldine
CID 65666
4-(Methanesulfonylmethyl)-2-(pyridin-4-yl)-6-(pyrrolidin-1-yl)pyrimidine
CID 3811929
5-Methylsulfonyl-2-[5-pyridin-3-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 12991484
3-(2-Methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
5-[2-Amino-5-(4-methylsulfonylphenyl)-3-pyridyl]pyrimidin-2-amine
CID 53311397
5-(tert-Butylsulfonyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 603738
N-benzyl-6-[(phenylsulfonyl)methyl]-2-(2-pyridinyl)-4-pyrimidinamine
CID 1471776
5-(Methylsulfonyl)-2-(3-pyridinyl)-4-pyrimidinamine
CID 1488239
N-Benzyl-6-((phenylsulfonyl)methyl)-2-(4-pyridinyl)-4-pyrimidinamine
CID 2769215
2-pyridin-3-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3233723

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine (CID 2778658) is 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine is CC(C)S(=O)(=O)c1cnc(-c2cccnc2)nc1N.
What is the InChIKey of 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is FLVASRDRMAICRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-8(2)19(17,18)10-7-15-12(16-11(10)13)9-4-3-5-14-6-9/h3-8H,1-2H3,(H2,13,15,16).
What are the key properties of 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine?
5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 278.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylsulfonyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 2778658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).