2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide

C13H20N4O2 — CID 129053058

IUPAC2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide
SMILESCCC(CN1CCOCC1)(C(N)=O)c1ccncn1
InChIInChI=1S/C13H20N4O2/c1-2-13(12(14)18,11-3-4-15-10-16-11)9-17-5-7-19-8-6-17/h3-4,10H,2,5-9H2,1H3,(H2,14,18)
InChIKeyWBLNMFMHYBCABT-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.06
Rot. Bonds5

About 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide

2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide (PubChem CID 129053058) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide
PubChem CID129053058
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide
SMILESCCC(CN1CCOCC1)(C(N)=O)c1ccncn1
InChIInChI=1S/C13H20N4O2/c1-2-13(12(14)18,11-3-4-15-10-16-11)9-17-5-7-19-8-6-17/h3-4,10H,2,5-9H2,1H3,(H2,14,18)
InChIKeyWBLNMFMHYBCABT-UHFFFAOYSA-N
XLogP-0.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(morpholin-4-ylmethyl)-2-pyridin-2-ylbutanamide
CID 129053349
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114
N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 141309481
4-(3-pyrimidin-4-ylpropyl)morpholine
CID 170871346
N-(2-tert-butyl-4-pyridinyl)-2-morpholin-4-ylacetamide
CID 110444182
5-(morpholin-4-ylmethyl)-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95188555
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393
2-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropan-1-amine
CID 134789510
N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-4-amine
CID 94220826
2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 25219323
2-methyl-2-pyrimidin-4-ylpropanoic acid
CID 82414356
1,2-dimorpholin-4-ylpropan-2-amine
CID 57479397

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide?
The IUPAC name of 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide (CID 129053058) is 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide is CCC(CN1CCOCC1)(C(N)=O)c1ccncn1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide?
The InChIKey is WBLNMFMHYBCABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-13(12(14)18,11-3-4-15-10-16-11)9-17-5-7-19-8-6-17/h3-4,10H,2,5-9H2,1H3,(H2,14,18).
What are the key properties of 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide?
2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide has a molecular weight of 264.33 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-2-pyrimidin-4-ylbutanamide is sourced from PubChem (CID 129053058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).