2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one

C16H26N4O2 — CID 42473321

IUPAC2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCCOc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1
InChIInChI=1S/C16H26N4O2/c1-5-10-22-15-11-14(17-13(4)18-15)19-6-8-20(9-7-19)16(21)12(2)3/h11-12H,5-10H2,1-4H3
InChIKeyYKDVOBJQVDOSBW-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one (PubChem CID 42473321) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one
PubChem CID42473321
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one
SMILESCCCOc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1
InChIInChI=1S/C16H26N4O2/c1-5-10-22-15-11-14(17-13(4)18-15)19-6-8-20(9-7-19)16(21)12(2)3/h11-12H,5-10H2,1-4H3
InChIKeyYKDVOBJQVDOSBW-UHFFFAOYSA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one (CID 42473321) is 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one is CCCOc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1.
What is the InChIKey of 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one?
The InChIKey is YKDVOBJQVDOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-10-22-15-11-14(17-13(4)18-15)19-6-8-20(9-7-19)16(21)12(2)3/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 42473321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).