4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide

C11H17N5O2 — CID 112751291

IUPAC4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccnc(N)n1
InChIInChI=1S/C11H17N5O2/c1-13-10(17)9-7-18-5-4-16(9)6-8-2-3-14-11(12)15-8/h2-3,9H,4-7H2,1H3,(H,13,17)(H2,12,14,15)
InChIKeyGMWNCEGJHPQCNL-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.99
Rot. Bonds3

About 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide

4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 112751291) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide
PubChem CID112751291
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccnc(N)n1
InChIInChI=1S/C11H17N5O2/c1-13-10(17)9-7-18-5-4-16(9)6-8-2-3-14-11(12)15-8/h2-3,9H,4-7H2,1H3,(H,13,17)(H2,12,14,15)
InChIKeyGMWNCEGJHPQCNL-UHFFFAOYSA-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 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide (CID 112751291) is 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1Cc1ccnc(N)n1.
What is the InChIKey of 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is GMWNCEGJHPQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-13-10(17)9-7-18-5-4-16(9)6-8-2-3-14-11(12)15-8/h2-3,9H,4-7H2,1H3,(H,13,17)(H2,12,14,15).
What are the key properties of 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide?
4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-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 4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 112751291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).