2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine

C14H12N4O — CID 138038838

IUPAC2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
SMILESCc1nccc(Oc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C14H12N4O/c1-11-15-9-7-14(17-11)19-13-5-3-12(4-6-13)18-10-2-8-16-18/h2-10H,1H3
InChIKeyCHUDAPYVYDQGIE-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.76
Rot. Bonds3

About 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine

2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine (PubChem CID 138038838) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
PubChem CID138038838
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine
SMILESCc1nccc(Oc2ccc(-n3cccn3)cc2)n1
InChIInChI=1S/C14H12N4O/c1-11-15-9-7-14(17-11)19-13-5-3-12(4-6-13)18-10-2-8-16-18/h2-10H,1H3
InChIKeyCHUDAPYVYDQGIE-UHFFFAOYSA-N
XLogP2.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 522990
4-[(1E)-{2-[1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91582777
3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 3139598
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine
CID 2941340
N-ethyl-1-(4-methoxyphenyl)-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 4403984
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
CID 658308
4-phenoxy-6-(1H-pyrazol-1-yl)pyrimidine
CID 661390
N-(4-ethoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
2-[4-[4-(4-Methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11337030
6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 42635815
N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine
CID 45485214

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine?
The IUPAC name of 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine (CID 138038838) is 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine?
The canonical SMILES for 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine is Cc1nccc(Oc2ccc(-n3cccn3)cc2)n1.
What is the InChIKey of 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine?
The InChIKey is CHUDAPYVYDQGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-11-15-9-7-14(17-11)19-13-5-3-12(4-6-13)18-10-2-8-16-18/h2-10H,1H3.
What are the key properties of 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine?
2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine has a molecular weight of 252.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-pyrazol-1-ylphenoxy)pyrimidine is sourced from PubChem (CID 138038838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).