(2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide

C11H17N5O2 — CID 164629855

IUPAC(2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2nccc(N)n2)CCO1
InChIInChI=1S/C11H17N5O2/c1-13-11(17)8-6-16(4-5-18-8)7-10-14-3-2-9(12)15-10/h2-3,8H,4-7H2,1H3,(H,13,17)(H2,12,14,15)/t8-/m0/s1
InChIKeyUIBLOOXCGCOFMA-QMMMGPOBSA-N
MW251.29 g/mol
LogP-0.99
Rot. Bonds3

About (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide

(2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 164629855) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide
PubChem CID164629855
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2nccc(N)n2)CCO1
InChIInChI=1S/C11H17N5O2/c1-13-11(17)8-6-16(4-5-18-8)7-10-14-3-2-9(12)15-10/h2-3,8H,4-7H2,1H3,(H,13,17)(H2,12,14,15)/t8-/m0/s1
InChIKeyUIBLOOXCGCOFMA-QMMMGPOBSA-N
XLogP-0.99
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide (CID 164629855) is (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2nccc(N)n2)CCO1.
What is the InChIKey of (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is UIBLOOXCGCOFMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-13-11(17)8-6-16(4-5-18-8)7-10-14-3-2-9(12)15-10/h2-3,8H,4-7H2,1H3,(H,13,17)(H2,12,14,15)/t8-/m0/s1.
What are the key properties of (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-aminopyrimidin-2-yl)methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 164629855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).