6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine

C17H15N7 — CID 46215644

IUPAC6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)
InChIKeyJIJYWPGTRDMEFZ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.93
Rot. Bonds3

About 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine

6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 46215644) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine
PubChem CID46215644
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22)
InChIKeyJIJYWPGTRDMEFZ-UHFFFAOYSA-N
XLogP2.93
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
1H-Pyrazolo[3,4-d]pyrimidine-3,4-diamine, N,N'-diphenyl-
CID 5327823
3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327844
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
6-[2-Amino-6-(Morpholin-4-Yl)pyrimidin-4-Yl]-2h-Indazol-3-Amine
CID 46214653
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
(3s,6r)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-6-Methyl-N-Phenylpiperidine-3-Carboxamide
CID 50909915
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763
4-N-[2-benzyl-7-(2-methyltetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine
CID 71714981

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine (CID 46215644) is 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine is Nc1nc(Nc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1.
What is the InChIKey of 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is JIJYWPGTRDMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c18-16-12-7-6-10(8-14(12)23-24-16)13-9-15(22-17(19)21-13)20-11-4-2-1-3-5-11/h1-9H,(H3,18,23,24)(H3,19,20,21,22).
What are the key properties of 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine?
6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 317.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-indazol-6-yl)-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 46215644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).