2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine

C18H15ClN6O — CID 11462733

IUPAC2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C18H15ClN6O/c1-26-15-5-3-11(19)6-13(15)18-23-16(20)8-17(24-18)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeyNWDSUYQWSHAINV-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.01
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine

2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine (PubChem CID 11462733) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine
PubChem CID11462733
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C18H15ClN6O/c1-26-15-5-3-11(19)6-13(15)18-23-16(20)8-17(24-18)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeyNWDSUYQWSHAINV-UHFFFAOYSA-N
XLogP4.01
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine (CID 11462733) is 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine is COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc3cn[nH]c3c2)n1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine?
The InChIKey is NWDSUYQWSHAINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-26-15-5-3-11(19)6-13(15)18-23-16(20)8-17(24-18)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine?
2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine has a molecular weight of 366.81 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 11462733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).