N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine

C15H15ClN6O — CID 69281716

IUPACN-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cn(-c3ccc(N)cc3)nc2C)ncc1Cl
InChIInChI=1S/C15H15ClN6O/c1-9-13(19-15-18-7-12(16)14(20-15)23-2)8-22(21-9)11-5-3-10(17)4-6-11/h3-8H,17H2,1-2H3,(H,18,19,20)
InChIKeyBRPUGWSUQBSUGX-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.96
Rot. Bonds4

About N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine

N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine (PubChem CID 69281716) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine
PubChem CID69281716
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC NameN-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine
SMILESCOc1nc(Nc2cn(-c3ccc(N)cc3)nc2C)ncc1Cl
InChIInChI=1S/C15H15ClN6O/c1-9-13(19-15-18-7-12(16)14(20-15)23-2)8-22(21-9)11-5-3-10(17)4-6-11/h3-8H,17H2,1-2H3,(H,18,19,20)
InChIKeyBRPUGWSUQBSUGX-UHFFFAOYSA-N
XLogP2.96
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-methoxy-N-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 69084480
5-chloro-N-(1-cyclopropylsulfinyl-3-methylpyrazol-4-yl)-4-methoxypyrimidin-2-amine
CID 126530457
(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
5-bromo-N-(2,5-dichloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106999086
N-(2,4-dichlorophenyl)-4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-amine
CID 66502909
5-chloro-N-(2-methoxy-5-methyl-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 146516000
4-(4-aminophenoxy)-5-chloro-N-propan-2-ylpyrimidin-2-amine
CID 172765369
2-[4-[[5-chloro-4-[(4-methoxycyclohexyl)methoxy]pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-2-methylpropanenitrile
CID 165385697
5-chloro-N-[3-chloro-1-(4-fluorophenyl)pyrazol-4-yl]-7-ethylpyrrolo[2,3-d]pyrimidin-2-amine
CID 138711071
N-(1,3-dimethylpyrazol-4-yl)-5-methoxypyrimidin-2-amine
CID 102806174

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine (CID 69281716) is N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine is COc1nc(Nc2cn(-c3ccc(N)cc3)nc2C)ncc1Cl.
What is the InChIKey of N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine?
The InChIKey is BRPUGWSUQBSUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c1-9-13(19-15-18-7-12(16)14(20-15)23-2)8-22(21-9)11-5-3-10(17)4-6-11/h3-8H,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine?
N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine has a molecular weight of 330.78 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)-3-methylpyrazol-4-yl]-5-chloro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 69281716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).