2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

C14H24N4O — CID 62318582

IUPAC2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(N2CCCCCC2)n1
InChIInChI=1S/C14H24N4O/c1-3-15-13-10-12(11-19-2)16-14(17-13)18-8-6-4-5-7-9-18/h10H,3-9,11H2,1-2H3,(H,15,16,17)
InChIKeyMOPRYNSAUNRIIX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.44
Rot. Bonds5

About 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine

2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 62318582) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID62318582
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
SMILESCCNc1cc(COC)nc(N2CCCCCC2)n1
InChIInChI=1S/C14H24N4O/c1-3-15-13-10-12(11-19-2)16-14(17-13)18-8-6-4-5-7-9-18/h10H,3-9,11H2,1-2H3,(H,15,16,17)
InChIKeyMOPRYNSAUNRIIX-UHFFFAOYSA-N
XLogP2.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 62319694
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
4-chloro-6-(methoxymethyl)-2-piperidin-1-ylpyrimidine
CID 62319950
2-cyclopropyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320790
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910154
2-(cyclohexylsulfanylmethyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 65144656
N-ethyl-6-(methoxymethyl)-2-(2-methylpropyl)pyrimidin-4-amine
CID 62319502
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
4-ethyl-6-(2-methoxyethyl)-2-piperidin-1-ylpyrimidine
CID 72847818
N-ethyl-6-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-amine
CID 115998400
2-(4-methylpiperazin-1-yl)-N,6-dipropylpyrimidin-4-amine
CID 62190377

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine (CID 62318582) is 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is CCNc1cc(COC)nc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is MOPRYNSAUNRIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-15-13-10-12(11-19-2)16-14(17-13)18-8-6-4-5-7-9-18/h10H,3-9,11H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine?
2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 62318582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).