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

C14H17N7 — CID 51356854

IUPAC6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C14H17N7/c1-7(2)17-12-6-10(18-14(16)19-12)8-3-4-9-11(5-8)20-21-13(9)15/h3-7H,1-2H3,(H3,15,20,21)(H3,16,17,18,19)
InChIKeyHABRRQSUPGOZTD-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.00
Rot. Bonds3

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

6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 51356854) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID51356854
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C14H17N7/c1-7(2)17-12-6-10(18-14(16)19-12)8-3-4-9-11(5-8)20-21-13(9)15/h3-7H,1-2H3,(H3,15,20,21)(H3,16,17,18,19)
InChIKeyHABRRQSUPGOZTD-UHFFFAOYSA-N
XLogP2.00
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.00
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-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 51356854) is 6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is HABRRQSUPGOZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-7(2)17-12-6-10(18-14(16)19-12)8-3-4-9-11(5-8)20-21-13(9)15/h3-7H,1-2H3,(H3,15,20,21)(H3,16,17,18,19).
What are the key properties of 6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
6-(3-amino-1H-indazol-6-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 283.34 g/mol, XLogP of 2.00, 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-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 51356854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).