4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine

C18H16ClN5 — CID 68994880

IUPAC4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine
SMILESCC1=CC(N)(c2ccccc2Cl)N=C(n2ncc3ccccc32)N1
InChIInChI=1S/C18H16ClN5/c1-12-10-18(20,14-7-3-4-8-15(14)19)23-17(22-12)24-16-9-5-2-6-13(16)11-21-24/h2-11H,20H2,1H3,(H,22,23)
InChIKeyONHBZDMZRKQRPL-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.21
Rot. Bonds1

About 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine

4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine (PubChem CID 68994880) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine
PubChem CID68994880
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine
SMILESCC1=CC(N)(c2ccccc2Cl)N=C(n2ncc3ccccc32)N1
InChIInChI=1S/C18H16ClN5/c1-12-10-18(20,14-7-3-4-8-15(14)19)23-17(22-12)24-16-9-5-2-6-13(16)11-21-24/h2-11H,20H2,1H3,(H,22,23)
InChIKeyONHBZDMZRKQRPL-UHFFFAOYSA-N
XLogP3.21
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine?
The IUPAC name of 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine (CID 68994880) is 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine?
The canonical SMILES for 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine is CC1=CC(N)(c2ccccc2Cl)N=C(n2ncc3ccccc32)N1.
What is the InChIKey of 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine?
The InChIKey is ONHBZDMZRKQRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-12-10-18(20,14-7-3-4-8-15(14)19)23-17(22-12)24-16-9-5-2-6-13(16)11-21-24/h2-11H,20H2,1H3,(H,22,23).
What are the key properties of 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine?
4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine has a molecular weight of 337.81 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-indazol-1-yl-6-methyl-1H-pyrimidin-4-amine is sourced from PubChem (CID 68994880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).