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

C16H19N7O — CID 46215988

IUPAC6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C16H19N7O/c1-9-8-24-5-4-23(9)14-7-12(19-16(18)20-14)10-2-3-11-13(6-10)21-22-15(11)17/h2-3,6-7,9H,4-5,8H2,1H3,(H3,17,21,22)(H2,18,19,20)/t9-/m1/s1
InChIKeyWNVXQKKSIHKYCX-SECBINFHSA-N
MW325.38 g/mol
LogP1.41
Rot. Bonds2

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

6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 46215988) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID46215988
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine
SMILESC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
InChIInChI=1S/C16H19N7O/c1-9-8-24-5-4-23(9)14-7-12(19-16(18)20-14)10-2-3-11-13(6-10)21-22-15(11)17/h2-3,6-7,9H,4-5,8H2,1H3,(H3,17,21,22)(H2,18,19,20)/t9-/m1/s1
InChIKeyWNVXQKKSIHKYCX-SECBINFHSA-N
XLogP1.41
TPSA118.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.41
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-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of 6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine (CID 46215988) is 6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for 6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for 6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine is C[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1.
What is the InChIKey of 6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is WNVXQKKSIHKYCX-SECBINFHSA-N. The full InChI is InChI=1S/C16H19N7O/c1-9-8-24-5-4-23(9)14-7-12(19-16(18)20-14)10-2-3-11-13(6-10)21-22-15(11)17/h2-3,6-7,9H,4-5,8H2,1H3,(H3,17,21,22)(H2,18,19,20)/t9-/m1/s1.
What are the key properties of 6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine?
6-[2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 325.38 g/mol, XLogP of 1.41, 2 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-methylmorpholin-4-yl]pyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 46215988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).