2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride

C23H19ClN6O — CID 44532644

IUPAC2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride
SMILESCl.c1ccc(Oc2ccc(Nc3ccnc(Nc4ccc5cn[nH]c5c4)n3)cc2)cc1
InChIInChI=1S/C23H18N6O.ClH/c1-2-4-19(5-3-1)30-20-10-8-17(9-11-20)26-22-12-13-24-23(28-22)27-18-7-6-16-15-25-29-21(16)14-18;/h1-15H,(H,25,29)(H2,24,26,27,28);1H
InChIKeyCLVCSWGORZHZKO-UHFFFAOYSA-N
MW430.90 g/mol
LogP6.05
Rot. Bonds6

About 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride

2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44532644) has the molecular formula C23H19ClN6O and a molecular weight of 430.90 g/mol. Its IUPAC name is 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride
PubChem CID44532644
Molecular FormulaC23H19ClN6O
Molecular Weight430.90 g/mol
Exact Mass430.13
IUPAC Name2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride
SMILESCl.c1ccc(Oc2ccc(Nc3ccnc(Nc4ccc5cn[nH]c5c4)n3)cc2)cc1
InChIInChI=1S/C23H18N6O.ClH/c1-2-4-19(5-3-1)30-20-10-8-17(9-11-20)26-22-12-13-24-23(28-22)27-18-7-6-16-15-25-29-21(16)14-18;/h1-15H,(H,25,29)(H2,24,26,27,28);1H
InChIKeyCLVCSWGORZHZKO-UHFFFAOYSA-N
XLogP6.05
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.90
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 9822610
1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
CID 44587530
N~4~-Methyl-N~2~-[2-Methyl-1-(2-Phenoxyphenyl)-1h-Indol-6-Yl]pyrimidine-2,4-Diamine
CID 121005806
N-(4-phenoxyphenyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141025097
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
Pdgfr-IN-1
CID 156704693
4-N-(1H-indazol-6-yl)-2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 156704697
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 137551961
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride (CID 44532644) is 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride is Cl.c1ccc(Oc2ccc(Nc3ccnc(Nc4ccc5cn[nH]c5c4)n3)cc2)cc1.
What is the InChIKey of 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is CLVCSWGORZHZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O.ClH/c1-2-4-19(5-3-1)30-20-10-8-17(9-11-20)26-22-12-13-24-23(28-22)27-18-7-6-16-15-25-29-21(16)14-18;/h1-15H,(H,25,29)(H2,24,26,27,28);1H.
What are the key properties of 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride?
2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 430.90 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indazol-6-yl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44532644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).