2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine

C14H25N3O2 — CID 103490268

IUPAC2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COC(C)COCC)n1
InChIInChI=1S/C14H25N3O2/c1-5-7-15-13-8-11(3)16-14(17-13)10-19-12(4)9-18-6-2/h8,12H,5-7,9-10H2,1-4H3,(H,15,16,17)
InChIKeyVQZBOTCIKHTMBF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.55
Rot. Bonds9

About 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine

2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 103490268) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID103490268
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(COC(C)COCC)n1
InChIInChI=1S/C14H25N3O2/c1-5-7-15-13-8-11(3)16-14(17-13)10-19-12(4)9-18-6-2/h8,12H,5-7,9-10H2,1-4H3,(H,15,16,17)
InChIKeyVQZBOTCIKHTMBF-UHFFFAOYSA-N
XLogP2.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine (CID 103490268) is 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(COC(C)COCC)n1.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is VQZBOTCIKHTMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-7-15-13-8-11(3)16-14(17-13)10-19-12(4)9-18-6-2/h8,12H,5-7,9-10H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 267.37 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103490268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).