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

C18H15ClN6O — CID 11245550

IUPAC6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1cc(Nc2ccc3cn[nH]c3c2)nc(N)n1
InChIInChI=1S/C18H15ClN6O/c1-26-16-5-3-11(19)6-13(16)15-8-17(24-18(20)23-15)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeySRPRDKREGMVGQM-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.01
Rot. Bonds4

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

6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 11245550) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
PubChem CID11245550
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1cc(Nc2ccc3cn[nH]c3c2)nc(N)n1
InChIInChI=1S/C18H15ClN6O/c1-26-16-5-3-11(19)6-13(16)15-8-17(24-18(20)23-15)22-12-4-2-10-9-21-25-14(10)7-12/h2-9H,1H3,(H,21,25)(H3,20,22,23,24)
InChIKeySRPRDKREGMVGQM-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

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Related Compounds

N-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327841
6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(1H-indazol-6-yl)-pyrimdine-2,4-diamine
CID 11361007
6-(5-Chloro-2-methoxy-phenyl)-N*2*-(1H-indazol-6-yl)-pyrimidine-2,4-diamine
CID 11748922
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673096
2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649380
6-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-1H-indazole
CID 44432370
2-N-(3-methyl-2H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 44532642
2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 44532644
2-N-(4-methoxynaphthalen-2-yl)-4-N-(3-methyl-2H-indazol-6-yl)pyrimidine-2,4-diamine;hydrochloride
CID 44532661
4-(4-chlorophenoxy)-N-[1-(1H-indazol-3-ylmethyl)-4-piperidyl]pyrimidin-2-amine
CID 155924226
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 162644817
2-N-[(4-chloro-2-methoxyphenyl)methyl]-4-N-(5-ethyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 164609206

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine (CID 11245550) is 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine is COc1ccc(Cl)cc1-c1cc(Nc2ccc3cn[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is SRPRDKREGMVGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c1-26-16-5-3-11(19)6-13(16)15-8-17(24-18(20)23-15)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 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine?
6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-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 6-(5-chloro-2-methoxyphenyl)-4-N-(1H-indazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 11245550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).