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

C18H17N7 — CID 46215810

IUPAC6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C18H17N7/c19-17-13-7-6-12(8-15(13)24-25-17)14-9-16(23-18(20)22-14)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,19,24,25)(H3,20,21,22,23)
InChIKeyNHLJKVASIFMRGN-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.80
Rot. Bonds4

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

6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine (PubChem CID 46215810) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine
PubChem CID46215810
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C18H17N7/c19-17-13-7-6-12(8-15(13)24-25-17)14-9-16(23-18(20)22-14)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,19,24,25)(H3,20,21,22,23)
InChIKeyNHLJKVASIFMRGN-UHFFFAOYSA-N
XLogP2.80
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk-2334470
CID 46215815
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine
CID 162679118
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
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
Tert-Butyl {(3r,6s)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-6-Methylpiperidin-3-Yl}carbamate
CID 50909916
Tert-Butyl {(3r,5r)-1-[2-Amino-6-(3-Amino-2h-Indazol-6-Yl)pyrimidin-4-Yl]-5-Methylpiperidin-3-Yl}carbamate
CID 50909917

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine (CID 46215810) is 6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine is Nc1nc(NCc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1.
What is the InChIKey of 6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine?
The InChIKey is NHLJKVASIFMRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c19-17-13-7-6-12(8-15(13)24-25-17)14-9-16(23-18(20)22-14)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,19,24,25)(H3,20,21,22,23).
What are the key properties of 6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine?
6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine has a molecular weight of 331.38 g/mol, XLogP of 2.80, 4 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-benzylpyrimidine-2,4-diamine is sourced from PubChem (CID 46215810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).