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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Related Compounds

4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83103647
4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820
4-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylmorpholine-3-carboxamide
CID 83105768
4-[(3-amino-5-bromophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 103350002
4-[(4-amino-3-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106722
4-[(2-amino-6-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106086
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
4-[[4-(methylamino)-2-pyridinyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83105350

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).