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

C15H28N4O2 — CID 80778803

IUPAC5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CCOC)CCOC)c1CC
InChIInChI=1S/C15H28N4O2/c1-5-7-16-14-13(6-2)15(18-12-17-14)19(8-10-20-3)9-11-21-4/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyGYIJQPUEUYZNPU-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.96
Rot. Bonds11

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

5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80778803) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80778803
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CCOC)CCOC)c1CC
InChIInChI=1S/C15H28N4O2/c1-5-7-16-14-13(6-2)15(18-12-17-14)19(8-10-20-3)9-11-21-4/h12H,5-11H2,1-4H3,(H,16,17,18)
InChIKeyGYIJQPUEUYZNPU-UHFFFAOYSA-N
XLogP1.96
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80914663
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80775397
4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 82952827
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 103176402
4-N-(2-methoxyethyl)-5-nitro-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 82942896
4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80834415

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine (CID 80778803) is 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(CCOC)CCOC)c1CC.
What is the InChIKey of 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is GYIJQPUEUYZNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-7-16-14-13(6-2)15(18-12-17-14)19(8-10-20-3)9-11-21-4/h12H,5-11H2,1-4H3,(H,16,17,18).
What are the key properties of 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 296.41 g/mol, XLogP of 1.96, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80778803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).