2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine

C14H24N4O — CID 56888262

IUPAC2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCC1CNCCOC1
InChIInChI=1S/C14H24N4O/c1-3-4-13-9-16-11(2)18-14(13)17-8-12-7-15-5-6-19-10-12/h9,12,15H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyHRBPQSXWJAXJFS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.39
Rot. Bonds5

About 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine

2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine (PubChem CID 56888262) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine
PubChem CID56888262
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1NCC1CNCCOC1
InChIInChI=1S/C14H24N4O/c1-3-4-13-9-16-11(2)18-14(13)17-8-12-7-15-5-6-19-10-12/h9,12,15H,3-8,10H2,1-2H3,(H,16,17,18)
InChIKeyHRBPQSXWJAXJFS-UHFFFAOYSA-N
XLogP1.39
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine (CID 56888262) is 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine is CCCc1cnc(C)nc1NCC1CNCCOC1.
What is the InChIKey of 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine?
The InChIKey is HRBPQSXWJAXJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-4-13-9-16-11(2)18-14(13)17-8-12-7-15-5-6-19-10-12/h9,12,15H,3-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine?
2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,4-oxazepan-6-ylmethyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 56888262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).