(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide

C12H18N4O2 — CID 120926840

IUPAC(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide
SMILESCc1nccc(CNC(=O)[C@H]2NCCO[C@@H]2C)n1
InChIInChI=1S/C12H18N4O2/c1-8-11(14-5-6-18-8)12(17)15-7-10-3-4-13-9(2)16-10/h3-4,8,11,14H,5-7H2,1-2H3,(H,15,17)/t8-,11+/m1/s1
InChIKeySSLHUIIQLJJLTL-KCJUWKMLSA-N
MW250.30 g/mol
LogP-0.22
Rot. Bonds3

About (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide (PubChem CID 120926840) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide
PubChem CID120926840
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide
SMILESCc1nccc(CNC(=O)[C@H]2NCCO[C@@H]2C)n1
InChIInChI=1S/C12H18N4O2/c1-8-11(14-5-6-18-8)12(17)15-7-10-3-4-13-9(2)16-10/h3-4,8,11,14H,5-7H2,1-2H3,(H,15,17)/t8-,11+/m1/s1
InChIKeySSLHUIIQLJJLTL-KCJUWKMLSA-N
XLogP-0.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide (CID 120926840) is (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide is Cc1nccc(CNC(=O)[C@H]2NCCO[C@@H]2C)n1.
What is the InChIKey of (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide?
The InChIKey is SSLHUIIQLJJLTL-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-11(14-5-6-18-8)12(17)15-7-10-3-4-13-9(2)16-10/h3-4,8,11,14H,5-7H2,1-2H3,(H,15,17)/t8-,11+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120926840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).