2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine

C15H25N3O — CID 116728820

IUPAC2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C(OCC)C2CC2)n1
InChIInChI=1S/C15H25N3O/c1-4-7-12-10-13(16-5-2)18-15(17-12)14(19-6-3)11-8-9-11/h10-11,14H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyRGMXWEMPOHVEFK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.35
Rot. Bonds8

About 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine

2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 116728820) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID116728820
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C(OCC)C2CC2)n1
InChIInChI=1S/C15H25N3O/c1-4-7-12-10-13(16-5-2)18-15(17-12)14(19-6-3)11-8-9-11/h10-11,14H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyRGMXWEMPOHVEFK-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116775882
2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729036
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
CID 116730104
2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde
CID 116730994
2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80609287
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 116729687
[2-(1-ethoxybutyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116730310
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
CID 116706453
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734
[2-[cyclohexyl(ethoxy)methyl]-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116777584
N,6-diethyl-2-(1-methoxyethyl)pyrimidin-4-amine
CID 79616612

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine (CID 116728820) is 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(C(OCC)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is RGMXWEMPOHVEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-12-10-13(16-5-2)18-15(17-12)14(19-6-3)11-8-9-11/h10-11,14H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine?
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116728820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).