2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine

C13H24N4O2 — CID 80987431

IUPAC2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(CCOC)CCOC)n1
InChIInChI=1S/C13H24N4O2/c1-5-11-15-12(14)10(2)13(16-11)17(6-8-18-3)7-9-19-4/h5-9H2,1-4H3,(H2,14,15,16)
InChIKeyYDJVNWKWSBIQLB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.03
Rot. Bonds8

About 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine

2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80987431) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80987431
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(CCOC)CCOC)n1
InChIInChI=1S/C13H24N4O2/c1-5-11-15-12(14)10(2)13(16-11)17(6-8-18-3)7-9-19-4/h5-9H2,1-4H3,(H2,14,15,16)
InChIKeyYDJVNWKWSBIQLB-UHFFFAOYSA-N
XLogP1.03
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80984282
2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984730
N,2-diethyl-6-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80994825
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549
2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
2-ethyl-4-N-(2-methoxyethyl)-6-N,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80987716
2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 80994434
2-ethyl-4-N,5-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667604
2-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 80988448
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
CID 80984868
2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
CID 112667867
3-N,3-N-bis(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102986130

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine (CID 80987431) is 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(N(CCOC)CCOC)n1.
What is the InChIKey of 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is YDJVNWKWSBIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-11-15-12(14)10(2)13(16-11)17(6-8-18-3)7-9-19-4/h5-9H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine?
2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).