2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine

C24H22N4O3S — CID 90315398

IUPAC2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1cncc(-c2nccc(NCc3ccccc3-c3ccccc3S(C)(=O)=O)n2)c1
InChIInChI=1S/C24H22N4O3S/c1-31-19-13-18(14-25-16-19)24-26-12-11-23(28-24)27-15-17-7-3-4-8-20(17)21-9-5-6-10-22(21)32(2,29)30/h3-14,16H,15H2,1-2H3,(H,26,27,28)
InChIKeyHBCRPFAHDKBUMI-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.23
Rot. Bonds7

About 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine

2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 90315398) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID90315398
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine
SMILESCOc1cncc(-c2nccc(NCc3ccccc3-c3ccccc3S(C)(=O)=O)n2)c1
InChIInChI=1S/C24H22N4O3S/c1-31-19-13-18(14-25-16-19)24-26-12-11-23(28-24)27-15-17-7-3-4-8-20(17)21-9-5-6-10-22(21)32(2,29)30/h3-14,16H,15H2,1-2H3,(H,26,27,28)
InChIKeyHBCRPFAHDKBUMI-UHFFFAOYSA-N
XLogP4.23
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 71204112
N-[[2-(aminomethyl)phenyl]methyl]-2-(5-bromo-3-pyridinyl)pyrimidin-4-amine
CID 166361765
[3-[2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]oxyphenyl] acetate
CID 141300396
N-[2-[[[3-(5-methoxy-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
CID 155562386
N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate
CID 152762945
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
N-[(2,5-difluorophenyl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 90328468
2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 46172986
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 71204058
2-(5-chloro-3-pyridinyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 71204068

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine (CID 90315398) is 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine is COc1cncc(-c2nccc(NCc3ccccc3-c3ccccc3S(C)(=O)=O)n2)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is HBCRPFAHDKBUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-31-19-13-18(14-25-16-19)24-26-12-11-23(28-24)27-15-17-7-3-4-8-20(17)21-9-5-6-10-22(21)32(2,29)30/h3-14,16H,15H2,1-2H3,(H,26,27,28).
What are the key properties of 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine?
2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 446.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-N-[[2-(2-methylsulfonylphenyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 90315398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).