4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine

C16H28N4O — CID 80819121

IUPAC4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCCOC1CCCC1
InChIInChI=1S/C16H28N4O/c1-3-7-14-15(17-4-2)19-12-20-16(14)18-10-11-21-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyZIFZZKKQLYPBEV-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.23
Rot. Bonds9

About 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine

4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80819121) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
PubChem CID80819121
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1NCCOC1CCCC1
InChIInChI=1S/C16H28N4O/c1-3-7-14-15(17-4-2)19-12-20-16(14)18-10-11-21-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyZIFZZKKQLYPBEV-UHFFFAOYSA-N
XLogP3.23
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopentyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80770351
4-N-cycloheptyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771825
4-N-(cyclohexylmethyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80771503
N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine
CID 80880199
6-cyclopentylsulfanyl-N,5-dipropylpyrimidin-4-amine
CID 80889758
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
CID 79917375
6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine (CID 80819121) is 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1NCCOC1CCCC1.
What is the InChIKey of 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is ZIFZZKKQLYPBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-7-14-15(17-4-2)19-12-20-16(14)18-10-11-21-13-8-5-6-9-13/h12-13H,3-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine?
4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80819121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).