[2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone

C13H20N4O2 — CID 75538768

IUPAC[2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCCCNc1cc(C(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C13H20N4O2/c1-3-4-14-12-9-11(15-10(2)16-12)13(18)17-5-7-19-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyHVYZOINHRVMRES-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.08
Rot. Bonds4

About [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone

[2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 75538768) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID75538768
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCCCNc1cc(C(=O)N2CCOCC2)nc(C)n1
InChIInChI=1S/C13H20N4O2/c1-3-4-14-12-9-11(15-10(2)16-12)13(18)17-5-7-19-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyHVYZOINHRVMRES-UHFFFAOYSA-N
XLogP1.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 75538768) is [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone is CCCNc1cc(C(=O)N2CCOCC2)nc(C)n1.
What is the InChIKey of [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HVYZOINHRVMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-4-14-12-9-11(15-10(2)16-12)13(18)17-5-7-19-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
[2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 264.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(propylamino)pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75538768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).