2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine

C20H17ClN6O — CID 168922946

IUPAC2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1c(Nc2ccncc2)nc(Cl)nc1-c1cccc(-c2ccn(C)n2)c1
InChIInChI=1S/C20H17ClN6O/c1-27-11-8-16(26-27)13-4-3-5-14(12-13)17-18(28-2)19(25-20(21)24-17)23-15-6-9-22-10-7-15/h3-12H,1-2H3,(H,22,23,24,25)
InChIKeyLKOOMLYPDUTECC-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.34
Rot. Bonds5

About 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine

2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 168922946) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID168922946
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1c(Nc2ccncc2)nc(Cl)nc1-c1cccc(-c2ccn(C)n2)c1
InChIInChI=1S/C20H17ClN6O/c1-27-11-8-16(26-27)13-4-3-5-14(12-13)17-18(28-2)19(25-20(21)24-17)23-15-6-9-22-10-7-15/h3-12H,1-2H3,(H,22,23,24,25)
InChIKeyLKOOMLYPDUTECC-UHFFFAOYSA-N
XLogP4.34
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

(3S)-1-[5-methoxy-4-[3-(1-methylpyrazol-3-yl)phenyl]-6-(pyridin-4-ylamino)pyrimidin-2-yl]piperidin-3-ol
CID 168922820
6-chloro-5-methoxy-2-[3-(1-methylpyrazol-3-yl)phenyl]-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 168923080
1-[3-[5-methoxy-2-morpholin-4-yl-6-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]piperidin-4-ol
CID 168923052
methyl 3-[3-(1-methylpyrazol-3-yl)phenyl]benzoate
CID 56858913
8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44554489
1-methyl-3-[3-(3-methylphenyl)phenyl]pyrazole
CID 137458249
5-chloro-2-(6-methoxy-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499369
[2-[3-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-yl]methanol
CID 172812427
2,4-dichloro-6-(1-methylpyrazol-3-yl)pyrimidine
CID 178078429
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-phenylpyrazine-2,3-diamine
CID 137431300
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
2-(3-chlorophenyl)-N-pyridin-4-yl-7H-purin-6-amine;ethane
CID 142948412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine (CID 168922946) is 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine is COc1c(Nc2ccncc2)nc(Cl)nc1-c1cccc(-c2ccn(C)n2)c1.
What is the InChIKey of 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is LKOOMLYPDUTECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-27-11-8-16(26-27)13-4-3-5-14(12-13)17-18(28-2)19(25-20(21)24-17)23-15-6-9-22-10-7-15/h3-12H,1-2H3,(H,22,23,24,25).
What are the key properties of 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine?
2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 392.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-6-[3-(1-methylpyrazol-3-yl)phenyl]-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 168922946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).