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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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).