2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide

C16H30N4O2 — CID 121328473

IUPAC2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide
SMILESCCCC1=CC(COC)=NC(C(NC)C(=O)NC(C)C)N1C
InChIInChI=1S/C16H30N4O2/c1-7-8-13-9-12(10-22-6)19-15(20(13)5)14(17-4)16(21)18-11(2)3/h9,11,14-15,17H,7-8,10H2,1-6H3,(H,18,21)
InChIKeyWECCZKMICGYOIO-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.14
Rot. Bonds8

About 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide

2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide (PubChem CID 121328473) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide
PubChem CID121328473
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide
SMILESCCCC1=CC(COC)=NC(C(NC)C(=O)NC(C)C)N1C
InChIInChI=1S/C16H30N4O2/c1-7-8-13-9-12(10-22-6)19-15(20(13)5)14(17-4)16(21)18-11(2)3/h9,11,14-15,17H,7-8,10H2,1-6H3,(H,18,21)
InChIKeyWECCZKMICGYOIO-UHFFFAOYSA-N
XLogP1.14
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide (CID 121328473) is 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide is CCCC1=CC(COC)=NC(C(NC)C(=O)NC(C)C)N1C.
What is the InChIKey of 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide?
The InChIKey is WECCZKMICGYOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-7-8-13-9-12(10-22-6)19-15(20(13)5)14(17-4)16(21)18-11(2)3/h9,11,14-15,17H,7-8,10H2,1-6H3,(H,18,21).
What are the key properties of 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide?
2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide has a molecular weight of 310.44 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 121328473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).