3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

C16H26N4O — CID 50977220

IUPAC3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCc1cnc(C)nc1NCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H26N4O/c1-4-14-11-18-13(3)19-16(14)17-8-5-15(21)20-9-6-12(2)7-10-20/h11-12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOLWCTCGKAHKLCH-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.41
Rot. Bonds5

About 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 50977220) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID50977220
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCc1cnc(C)nc1NCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H26N4O/c1-4-14-11-18-13(3)19-16(14)17-8-5-15(21)20-9-6-12(2)7-10-20/h11-12H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyOLWCTCGKAHKLCH-UHFFFAOYSA-N
XLogP2.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 50977220) is 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is CCc1cnc(C)nc1NCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is OLWCTCGKAHKLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-14-11-18-13(3)19-16(14)17-8-5-15(21)20-9-6-12(2)7-10-20/h11-12H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methylpyrimidin-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 50977220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).