5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine

C15H14ClN5O — CID 69084480

IUPAC5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOc1nc(Nc2cn(-c3ccccc3)nc2C)ncc1Cl
InChIInChI=1S/C15H14ClN5O/c1-10-13(9-21(20-10)11-6-4-3-5-7-11)18-15-17-8-12(16)14(19-15)22-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBPEZDYHAGGKIJX-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.38
Rot. Bonds4

About 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine

5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 69084480) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID69084480
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOc1nc(Nc2cn(-c3ccccc3)nc2C)ncc1Cl
InChIInChI=1S/C15H14ClN5O/c1-10-13(9-21(20-10)11-6-4-3-5-7-11)18-15-17-8-12(16)14(19-15)22-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBPEZDYHAGGKIJX-UHFFFAOYSA-N
XLogP3.38
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine
CID 69281716
5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
CID 126530457
N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 66502909
(5-chloro-4-methoxypyrimidin-2-yl)hydrazine
CID 80911079
5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998597
5-chloro-4-methoxy-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 69281706
4-methoxy-N-(5-methyl-1-phenylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 69085770
2,6-dimethoxy-N-(3-methyl-1-phenylpyrazol-4-yl)benzamide
CID 154837597
5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 146516000
N-(2-methoxyphenyl)-4-[3-methyl-1-(4-methylphenyl)pyrazol-4-yl]pyrimidin-2-amine
CID 66503071
5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106999086
2-[4-[[5-chloro-4-[(4-methoxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 165385697

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine (CID 69084480) is 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine is COc1nc(Nc2cn(-c3ccccc3)nc2C)ncc1Cl.
What is the InChIKey of 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is BPEZDYHAGGKIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c1-10-13(9-21(20-10)11-6-4-3-5-7-11)18-15-17-8-12(16)14(19-15)22-2/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine?
5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 315.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 69084480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).