6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C22H21N5O — CID 70949618

IUPAC6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1ccc(OCc2nc(C)cc(Nc3cc(-c4ccccc4)[nH]n3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-15-8-10-18(11-9-15)28-14-22-23-16(2)12-20(25-22)24-21-13-19(26-27-21)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyLAGSRASFVUCRFB-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.81
Rot. Bonds6

About 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 70949618) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID70949618
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1ccc(OCc2nc(C)cc(Nc3cc(-c4ccccc4)[nH]n3)n2)cc1
InChIInChI=1S/C22H21N5O/c1-15-8-10-18(11-9-15)28-14-22-23-16(2)12-20(25-22)24-21-13-19(26-27-21)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyLAGSRASFVUCRFB-UHFFFAOYSA-N
XLogP4.81
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 70949618) is 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1ccc(OCc2nc(C)cc(Nc3cc(-c4ccccc4)[nH]n3)n2)cc1.
What is the InChIKey of 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is LAGSRASFVUCRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-8-10-18(11-9-15)28-14-22-23-16(2)12-20(25-22)24-21-13-19(26-27-21)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methylphenoxy)methyl]-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 70949618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).