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

C19H25N7O — CID 70886740

IUPAC6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine
SMILESCC[C@@H]1COCCN1c1cc(-c2ccc3c(NC)n[nH]c3c2)nc(NC)n1
InChIInChI=1S/C19H25N7O/c1-4-13-11-27-8-7-26(13)17-10-15(22-19(21-3)23-17)12-5-6-14-16(9-12)24-25-18(14)20-2/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H2,20,24,25)(H,21,22,23)/t13-/m1/s1
InChIKeyRYLGXPRQJUKSST-CYBMUJFWSA-N
MW367.46 g/mol
LogP2.72
Rot. Bonds5

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

6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine (PubChem CID 70886740) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine
PubChem CID70886740
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine
SMILESCC[C@@H]1COCCN1c1cc(-c2ccc3c(NC)n[nH]c3c2)nc(NC)n1
InChIInChI=1S/C19H25N7O/c1-4-13-11-27-8-7-26(13)17-10-15(22-19(21-3)23-17)12-5-6-14-16(9-12)24-25-18(14)20-2/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H2,20,24,25)(H,21,22,23)/t13-/m1/s1
InChIKeyRYLGXPRQJUKSST-CYBMUJFWSA-N
XLogP2.72
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine?
The IUPAC name of 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine (CID 70886740) is 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine.
What is the SMILES notation for 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine?
The canonical SMILES for 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine is CC[C@@H]1COCCN1c1cc(-c2ccc3c(NC)n[nH]c3c2)nc(NC)n1.
What is the InChIKey of 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine?
The InChIKey is RYLGXPRQJUKSST-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N7O/c1-4-13-11-27-8-7-26(13)17-10-15(22-19(21-3)23-17)12-5-6-14-16(9-12)24-25-18(14)20-2/h5-6,9-10,13H,4,7-8,11H2,1-3H3,(H2,20,24,25)(H,21,22,23)/t13-/m1/s1.
What are the key properties of 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine?
6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine has a molecular weight of 367.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3R)-3-ethylmorpholin-4-yl]-2-(methylamino)pyrimidin-4-yl]-N-methyl-1H-indazol-3-amine is sourced from PubChem (CID 70886740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).