2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine

C15H27N3OS — CID 107765335

IUPAC2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCCCSc1cc(NCCC)nc(COCC)n1
InChIInChI=1S/C15H27N3OS/c1-4-7-8-10-20-15-11-13(16-9-5-2)17-14(18-15)12-19-6-3/h11H,4-10,12H2,1-3H3,(H,16,17,18)
InChIKeyNWJLWUBXCGDRTE-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.12
Rot. Bonds11

About 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine

2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine (PubChem CID 107765335) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
PubChem CID107765335
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine
SMILESCCCCCSc1cc(NCCC)nc(COCC)n1
InChIInChI=1S/C15H27N3OS/c1-4-7-8-10-20-15-11-13(16-9-5-2)17-14(18-15)12-19-6-3/h11H,4-10,12H2,1-3H3,(H,16,17,18)
InChIKeyNWJLWUBXCGDRTE-UHFFFAOYSA-N
XLogP4.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyethylsulfanyl)-2-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113401713
5-[[2-(ethoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324083
2-(ethoxymethyl)-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 113401286
6-(2-methoxyethylsulfanyl)-N,2-dipropylpyrimidin-4-amine
CID 80947939
methyl 3-[2-ethyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80937339
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
2-methyl-N-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80886667
methyl 3-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]sulfanylpropanoate
CID 113402006
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
CID 106432075
2-(1-ethoxypropan-2-yloxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103490268
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine (CID 107765335) is 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine is CCCCCSc1cc(NCCC)nc(COCC)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
The InChIKey is NWJLWUBXCGDRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-7-8-10-20-15-11-13(16-9-5-2)17-14(18-15)12-19-6-3/h11H,4-10,12H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine?
2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine has a molecular weight of 297.47 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-pentylsulfanyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 107765335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).