N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide

C17H28N4O — CID 145081276

IUPACN-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide
SMILESCCN(CCC(C)N(C)C(C)=O)c1cc(C2CC2)nc(C)n1
InChIInChI=1S/C17H28N4O/c1-6-21(10-9-12(2)20(5)14(4)22)17-11-16(15-7-8-15)18-13(3)19-17/h11-12,15H,6-10H2,1-5H3
InChIKeyQOFMXZQKXHBVDW-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.75
Rot. Bonds7

About N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide

N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide (PubChem CID 145081276) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide
PubChem CID145081276
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide
SMILESCCN(CCC(C)N(C)C(C)=O)c1cc(C2CC2)nc(C)n1
InChIInChI=1S/C17H28N4O/c1-6-21(10-9-12(2)20(5)14(4)22)17-11-16(15-7-8-15)18-13(3)19-17/h11-12,15H,6-10H2,1-5H3
InChIKeyQOFMXZQKXHBVDW-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide (CID 145081276) is N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide is CCN(CCC(C)N(C)C(C)=O)c1cc(C2CC2)nc(C)n1.
What is the InChIKey of N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide?
The InChIKey is QOFMXZQKXHBVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-6-21(10-9-12(2)20(5)14(4)22)17-11-16(15-7-8-15)18-13(3)19-17/h11-12,15H,6-10H2,1-5H3.
What are the key properties of N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide?
N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide has a molecular weight of 304.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-ethylamino]butan-2-yl]-N-methylacetamide is sourced from PubChem (CID 145081276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).