N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine

C21H19N5O — CID 3365524

IUPACN-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H19N5O/c1-15-12-19(16-6-4-3-5-7-16)26(25-15)21-13-20(22-14-23-21)24-17-8-10-18(27-2)11-9-17/h3-14H,1-2H3,(H,22,23,24)
InChIKeyZXVSMULWVXLCBL-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.39
Rot. Bonds5

About N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine

N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 3365524) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID3365524
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)cc1
InChIInChI=1S/C21H19N5O/c1-15-12-19(16-6-4-3-5-7-16)26(25-15)21-13-20(22-14-23-21)24-17-8-10-18(27-2)11-9-17/h3-14H,1-2H3,(H,22,23,24)
InChIKeyZXVSMULWVXLCBL-UHFFFAOYSA-N
XLogP4.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138075
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 25138076
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
2,4-Disubstituted Pyrimidine 2g
CID 5329420
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine (CID 3365524) is N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine is COc1ccc(Nc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is ZXVSMULWVXLCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-15-12-19(16-6-4-3-5-7-16)26(25-15)21-13-20(22-14-23-21)24-17-8-10-18(27-2)11-9-17/h3-14H,1-2H3,(H,22,23,24).
What are the key properties of N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 357.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 3365524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).