(2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide

C12H18N4O2 — CID 95839544

IUPAC(2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(c2cc(C)ncn2)CCO1
InChIInChI=1S/C12H18N4O2/c1-9-6-10(15-8-14-9)16-4-5-18-12(2,7-16)11(17)13-3/h6,8H,4-5,7H2,1-3H3,(H,13,17)/t12-/m0/s1
InChIKeyMCKLDCWURGMWGV-LBPRGKRZSA-N
MW250.30 g/mol
LogP0.13
Rot. Bonds2

About (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide

(2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide (PubChem CID 95839544) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide
PubChem CID95839544
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(c2cc(C)ncn2)CCO1
InChIInChI=1S/C12H18N4O2/c1-9-6-10(15-8-14-9)16-4-5-18-12(2,7-16)11(17)13-3/h6,8H,4-5,7H2,1-3H3,(H,13,17)/t12-/m0/s1
InChIKeyMCKLDCWURGMWGV-LBPRGKRZSA-N
XLogP0.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide (CID 95839544) is (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(c2cc(C)ncn2)CCO1.
What is the InChIKey of (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide?
The InChIKey is MCKLDCWURGMWGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-6-10(15-8-14-9)16-4-5-18-12(2,7-16)11(17)13-3/h6,8H,4-5,7H2,1-3H3,(H,13,17)/t12-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide?
(2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-4-(6-methylpyrimidin-4-yl)morpholine-2-carboxamide is sourced from PubChem (CID 95839544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).