N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine

C17H18ClN5O — CID 7424264

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1Cl
InChIInChI=1S/C17H18ClN5O/c1-10-8-16(20-13-5-6-15(24-4)14(18)9-13)21-17(19-10)23-12(3)7-11(2)22-23/h5-9H,1-4H3,(H,19,20,21)
InChIKeyWIXFEWJOWOCGLY-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.99
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 7424264) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
PubChem CID7424264
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1Cl
InChIInChI=1S/C17H18ClN5O/c1-10-8-16(20-13-5-6-15(24-4)14(18)9-13)21-17(19-10)23-12(3)7-11(2)22-23/h5-9H,1-4H3,(H,19,20,21)
InChIKeyWIXFEWJOWOCGLY-UHFFFAOYSA-N
XLogP3.99
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine (CID 7424264) is N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine is COc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is WIXFEWJOWOCGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-10-8-16(20-13-5-6-15(24-4)14(18)9-13)21-17(19-10)23-12(3)7-11(2)22-23/h5-9H,1-4H3,(H,19,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 343.82 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 7424264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).