6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine

C17H21N7O — CID 46215992

IUPAC6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C17H21N7O/c1-2-11-9-25-6-5-24(11)15-8-13(20-17(19)21-15)10-3-4-12-14(7-10)22-23-16(12)18/h3-4,7-8,11H,2,5-6,9H2,1H3,(H3,18,22,23)(H2,19,20,21)/t11-/m1/s1
InChIKeyNOAWVMJDSNKUAH-LLVKDONJSA-N
MW339.40 g/mol
LogP1.80
Rot. Bonds3

About 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine

6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 46215992) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID46215992
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C17H21N7O/c1-2-11-9-25-6-5-24(11)15-8-13(20-17(19)21-15)10-3-4-12-14(7-10)22-23-16(12)18/h3-4,7-8,11H,2,5-6,9H2,1H3,(H3,18,22,23)(H2,19,20,21)/t11-/m1/s1
InChIKeyNOAWVMJDSNKUAH-LLVKDONJSA-N
XLogP1.80
TPSA118.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 46215992) is 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine is CC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is NOAWVMJDSNKUAH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N7O/c1-2-11-9-25-6-5-24(11)15-8-13(20-17(19)21-15)10-3-4-12-14(7-10)22-23-16(12)18/h3-4,7-8,11H,2,5-6,9H2,1H3,(H3,18,22,23)(H2,19,20,21)/t11-/m1/s1.
What are the key properties of 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 339.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-6-[(3R)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 46215992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).