2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide

C14H22N4O2 — CID 72718088

IUPAC2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(19)16-10-11-15-5-4-12(17-11)18-6-8-20-9-7-18/h4-5H,6-10H2,1-3H3,(H,16,19)
InChIKeyWZZMQQXVASHTRD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.98
Rot. Bonds3

About 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide

2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide (PubChem CID 72718088) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
PubChem CID72718088
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)13(19)16-10-11-15-5-4-12(17-11)18-6-8-20-9-7-18/h4-5H,6-10H2,1-3H3,(H,16,19)
InChIKeyWZZMQQXVASHTRD-UHFFFAOYSA-N
XLogP0.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide (CID 72718088) is 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide is CC(C)(C)C(=O)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide?
The InChIKey is WZZMQQXVASHTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)13(19)16-10-11-15-5-4-12(17-11)18-6-8-20-9-7-18/h4-5H,6-10H2,1-3H3,(H,16,19).
What are the key properties of 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide?
2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide has a molecular weight of 278.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide is sourced from PubChem (CID 72718088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).