6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine

C21H22N6O — CID 58504759

IUPAC6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCOc1ccccc1CCCc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C21H22N6O/c1-28-19-8-3-2-5-13(19)6-4-7-15-12-17(25-21(23)24-15)14-9-10-16-18(11-14)26-27-20(16)22/h2-3,5,8-12H,4,6-7H2,1H3,(H3,22,26,27)(H2,23,24,25)
InChIKeyDRIFDQGTHLINLR-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.37
Rot. Bonds6

About 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine

6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 58504759) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID58504759
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCOc1ccccc1CCCc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C21H22N6O/c1-28-19-8-3-2-5-13(19)6-4-7-15-12-17(25-21(23)24-15)14-9-10-16-18(11-14)26-27-20(16)22/h2-3,5,8-12H,4,6-7H2,1H3,(H3,22,26,27)(H2,23,24,25)
InChIKeyDRIFDQGTHLINLR-UHFFFAOYSA-N
XLogP3.37
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

6-(2-methoxyphenyl)-1H-indazol-3-amine
CID 11694382
6-(4-methoxyphenyl)-1H-indazol-3-amine
CID 11564957
6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine
CID 46215810
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
6-(2,6-dimethylphenyl)-1H-indazol-3-amine
CID 69066632
1-methoxy-2-tetradecylbenzene
CID 69169530
6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 11622972
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
1-(5-bromopentyl)-2-methoxybenzene
CID 18786551
6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 174370726
6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17409436
5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine
CID 56709890

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 58504759) is 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine is COc1ccccc1CCCc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is DRIFDQGTHLINLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-28-19-8-3-2-5-13(19)6-4-7-15-12-17(25-21(23)24-15)14-9-10-16-18(11-14)26-27-20(16)22/h2-3,5,8-12H,4,6-7H2,1H3,(H3,22,26,27)(H2,23,24,25).
What are the key properties of 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine?
6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 374.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-6-[3-(2-methoxyphenyl)propyl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 58504759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).