4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine

C15H28N4O — CID 80834161

IUPAC4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(CC)CCOCC
InChIInChI=1S/C15H28N4O/c1-5-9-13-14(16-6-2)17-12-18-15(13)19(7-3)10-11-20-8-4/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyDSPSFDPABZKJBA-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.72
Rot. Bonds10

About 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine

4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80834161) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
PubChem CID80834161
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NCC)ncnc1N(CC)CCOCC
InChIInChI=1S/C15H28N4O/c1-5-9-13-14(16-6-2)17-12-18-15(13)19(7-3)10-11-20-8-4/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyDSPSFDPABZKJBA-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.72
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

4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80833920
4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80834415
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569
5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 114072323
6-N-ethyl-4-N,4-N-dimethyl-5-propylpyrimidine-4,6-diamine
CID 80765941
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80909764
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80838133
5-bromo-4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 114072576
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670
4-N-butyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80757752
2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol
CID 107495178

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine (CID 80834161) is 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NCC)ncnc1N(CC)CCOCC.
What is the InChIKey of 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is DSPSFDPABZKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-9-13-14(16-6-2)17-12-18-15(13)19(7-3)10-11-20-8-4/h12H,5-11H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine?
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80834161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).