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

C12H13N7 — CID 51356853

IUPAC6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C12H13N7/c1-15-10-5-8(16-12(14)17-10)6-2-3-7-9(4-6)18-19-11(7)13/h2-5H,1H3,(H3,13,18,19)(H3,14,15,16,17)
InChIKeyFUWKNYZEQAGYBA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.23
Rot. Bonds2

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

6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 51356853) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID51356853
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCNc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C12H13N7/c1-15-10-5-8(16-12(14)17-10)6-2-3-7-9(4-6)18-19-11(7)13/h2-5H,1H3,(H3,13,18,19)(H3,14,15,16,17)
InChIKeyFUWKNYZEQAGYBA-UHFFFAOYSA-N
XLogP1.23
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.23
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-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine (CID 51356853) is 6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine is CNc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is FUWKNYZEQAGYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-15-10-5-8(16-12(14)17-10)6-2-3-7-9(4-6)18-19-11(7)13/h2-5H,1H3,(H3,13,18,19)(H3,14,15,16,17).
What are the key properties of 6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine?
6-(3-amino-1H-indazol-6-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 255.28 g/mol, XLogP of 1.23, 2 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-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 51356853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).