1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone

C14H22N4O2 — CID 72852511

IUPAC1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCCN2CCOCC2)nc1C
InChIInChI=1S/C14H22N4O2/c1-11-13(12(2)19)10-16-14(17-11)15-4-3-5-18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyCIBQANHKYAETLP-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.12
Rot. Bonds6

About 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone

1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone (PubChem CID 72852511) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone
PubChem CID72852511
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCCN2CCOCC2)nc1C
InChIInChI=1S/C14H22N4O2/c1-11-13(12(2)19)10-16-14(17-11)15-4-3-5-18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyCIBQANHKYAETLP-UHFFFAOYSA-N
XLogP1.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone (CID 72852511) is 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone is CC(=O)c1cnc(NCCCN2CCOCC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone?
The InChIKey is CIBQANHKYAETLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-13(12(2)19)10-16-14(17-11)15-4-3-5-18-6-8-20-9-7-18/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone?
1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone has a molecular weight of 278.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 72852511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).