4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide

C11H17N5O2 — CID 112754984

IUPAC4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide
SMILESCc1ncc(CN)c(N2CCOCC2C(N)=O)n1
InChIInChI=1S/C11H17N5O2/c1-7-14-5-8(4-12)11(15-7)16-2-3-18-6-9(16)10(13)17/h5,9H,2-4,6,12H2,1H3,(H2,13,17)
InChIKeyGODPBTKSVBPQCN-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.07
Rot. Bonds3

About 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide

4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide (PubChem CID 112754984) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide
PubChem CID112754984
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide
SMILESCc1ncc(CN)c(N2CCOCC2C(N)=O)n1
InChIInChI=1S/C11H17N5O2/c1-7-14-5-8(4-12)11(15-7)16-2-3-18-6-9(16)10(13)17/h5,9H,2-4,6,12H2,1H3,(H2,13,17)
InChIKeyGODPBTKSVBPQCN-UHFFFAOYSA-N
XLogP-1.07
TPSA107.36 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 ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide (CID 112754984) is 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide is Cc1ncc(CN)c(N2CCOCC2C(N)=O)n1.
What is the InChIKey of 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide?
The InChIKey is GODPBTKSVBPQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-14-5-8(4-12)11(15-7)16-2-3-18-6-9(16)10(13)17/h5,9H,2-4,6,12H2,1H3,(H2,13,17).
What are the key properties of 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide?
4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 112754984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).