N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine

C19H20N4O2S — CID 72892515

IUPACN-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCCC(Nc1nccc(-c2ccccn2)n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-16(14-7-9-15(10-8-14)26(2,24)25)22-19-21-13-11-18(23-19)17-6-4-5-12-20-17/h4-13,16H,3H2,1-2H3,(H,21,22,23)
InChIKeyBYJHMVCJEBXVEX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine

N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 72892515) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID72892515
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCCC(Nc1nccc(-c2ccccn2)n1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H20N4O2S/c1-3-16(14-7-9-15(10-8-14)26(2,24)25)22-19-21-13-11-18(23-19)17-6-4-5-12-20-17/h4-13,16H,3H2,1-2H3,(H,21,22,23)
InChIKeyBYJHMVCJEBXVEX-UHFFFAOYSA-N
XLogP3.51
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

formic acid;7-methyl-N-[1-(4-methylsulfonylphenyl)propyl]purin-2-amine
CID 166598090
N-(2-methoxy-1-pyridin-2-ylethyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 74235596
5-ethyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]-1,3,4-oxadiazol-2-amine
CID 97206992
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444030
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466
6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine
CID 43675312
4-pyridin-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-2-amine
CID 74235069
1-(3-methoxy-2-pyridinyl)-3-[1-(4-methylsulfonylphenyl)propyl]thiourea
CID 133216727
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
CID 3513839
2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine
CID 157056170

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 72892515) is N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine is CCC(Nc1nccc(-c2ccccn2)n1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is BYJHMVCJEBXVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-16(14-7-9-15(10-8-14)26(2,24)25)22-19-21-13-11-18(23-19)17-6-4-5-12-20-17/h4-13,16H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 368.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)propyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 72892515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).