N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine

C22H21N5O — CID 66503071

IUPACN-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(-c2cn(-c3ccc(C)cc3)nc2C)n1
InChIInChI=1S/C22H21N5O/c1-15-8-10-17(11-9-15)27-14-18(16(2)26-27)19-12-13-23-22(24-19)25-20-6-4-5-7-21(20)28-3/h4-14H,1-3H3,(H,23,24,25)
InChIKeyIJDHUSUJFKRLIX-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.70
Rot. Bonds5

About N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine

N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 66503071) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID66503071
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(-c2cn(-c3ccc(C)cc3)nc2C)n1
InChIInChI=1S/C22H21N5O/c1-15-8-10-17(11-9-15)27-14-18(16(2)26-27)19-12-13-23-22(24-19)25-20-6-4-5-7-21(20)28-3/h4-14H,1-3H3,(H,23,24,25)
InChIKeyIJDHUSUJFKRLIX-UHFFFAOYSA-N
XLogP4.70
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine (CID 66503071) is N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine is COc1ccccc1Nc1nccc(-c2cn(-c3ccc(C)cc3)nc2C)n1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is IJDHUSUJFKRLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-8-10-17(11-9-15)27-14-18(16(2)26-27)19-12-13-23-22(24-19)25-20-6-4-5-7-21(20)28-3/h4-14H,1-3H3,(H,23,24,25).
What are the key properties of N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine?
N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 371.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 66503071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).