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

C16H19N7 — CID 46214649

IUPAC6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CCCC2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C16H19N7/c17-15-11-6-5-9(7-13(11)22-23-15)12-8-14(21-16(18)20-12)19-10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,17,22,23)(H3,18,19,20,21)
InChIKeyLDKHTALMQVJDPD-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.54
Rot. Bonds3

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

6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine (PubChem CID 46214649) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine
PubChem CID46214649
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CCCC2)cc(-c2ccc3c(N)n[nH]c3c2)n1
InChIInChI=1S/C16H19N7/c17-15-11-6-5-9(7-13(11)22-23-15)12-8-14(21-16(18)20-12)19-10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,17,22,23)(H3,18,19,20,21)
InChIKeyLDKHTALMQVJDPD-UHFFFAOYSA-N
XLogP2.54
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.54
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
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
4-N-[2-benzyl-7-(2-methyltetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine
CID 71714981
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine (CID 46214649) is 6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine is Nc1nc(NC2CCCC2)cc(-c2ccc3c(N)n[nH]c3c2)n1.
What is the InChIKey of 6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine?
The InChIKey is LDKHTALMQVJDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c17-15-11-6-5-9(7-13(11)22-23-15)12-8-14(21-16(18)20-12)19-10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,17,22,23)(H3,18,19,20,21).
What are the key properties of 6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine?
6-(3-amino-1H-indazol-6-yl)-4-N-cyclopentylpyrimidine-2,4-diamine has a molecular weight of 309.38 g/mol, XLogP of 2.54, 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-cyclopentylpyrimidine-2,4-diamine is sourced from PubChem (CID 46214649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).