2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine

C14H22N4O — CID 104961838

IUPAC2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H22N4O/c1-8-6-18(7-9(2)19-8)14-10(3)12(15)16-13(17-14)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,15,16,17)/t8-,9+
InChIKeyILEJGWOBLPCNFL-DTORHVGOSA-N
MW262.36 g/mol
LogP1.86
Rot. Bonds2

About 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine

2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine (PubChem CID 104961838) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine
PubChem CID104961838
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H22N4O/c1-8-6-18(7-9(2)19-8)14-10(3)12(15)16-13(17-14)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,15,16,17)/t8-,9+
InChIKeyILEJGWOBLPCNFL-DTORHVGOSA-N
XLogP1.86
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine (CID 104961838) is 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine?
The InChIKey is ILEJGWOBLPCNFL-DTORHVGOSA-N. The full InChI is InChI=1S/C14H22N4O/c1-8-6-18(7-9(2)19-8)14-10(3)12(15)16-13(17-14)11-4-5-11/h8-9,11H,4-7H2,1-3H3,(H2,15,16,17)/t8-,9+.
What are the key properties of 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 104961838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).