[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone

C18H22N4O2 — CID 124736015

IUPAC[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone
SMILESCNc1nc(C)cc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-12-9-15(21-18(19-3)20-12)17(23)22-10-13(2)24-11-16(22)14-7-5-4-6-8-14/h4-9,13,16H,10-11H2,1-3H3,(H,19,20,21)/t13-,16+/m0/s1
InChIKeyOGRNCPBUHKWFNR-XJKSGUPXSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds3

About [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone

[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone (PubChem CID 124736015) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone
PubChem CID124736015
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone
SMILESCNc1nc(C)cc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)n1
InChIInChI=1S/C18H22N4O2/c1-12-9-15(21-18(19-3)20-12)17(23)22-10-13(2)24-11-16(22)14-7-5-4-6-8-14/h4-9,13,16H,10-11H2,1-3H3,(H,19,20,21)/t13-,16+/m0/s1
InChIKeyOGRNCPBUHKWFNR-XJKSGUPXSA-N
XLogP2.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone?
The IUPAC name of [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone (CID 124736015) is [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone is CNc1nc(C)cc(C(=O)N2C[C@H](C)OC[C@@H]2c2ccccc2)n1.
What is the InChIKey of [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone?
The InChIKey is OGRNCPBUHKWFNR-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-9-15(21-18(19-3)20-12)17(23)22-10-13(2)24-11-16(22)14-7-5-4-6-8-14/h4-9,13,16H,10-11H2,1-3H3,(H,19,20,21)/t13-,16+/m0/s1.
What are the key properties of [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone?
[6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(methylamino)pyrimidin-4-yl]-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 124736015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).