4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine

C14H27N5O2 — CID 82458581

IUPAC4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(COC)nc(NCCN(CC)CC)c1N
InChIInChI=1S/C14H27N5O2/c1-5-19(6-2)9-8-16-13-12(15)14(21-7-3)18-11(17-13)10-20-4/h5-10,15H2,1-4H3,(H,16,17,18)
InChIKeyMLZLFKPLHCQNPK-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.36
Rot. Bonds10

About 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine

4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine (PubChem CID 82458581) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
PubChem CID82458581
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
SMILESCCOc1nc(COC)nc(NCCN(CC)CC)c1N
InChIInChI=1S/C14H27N5O2/c1-5-19(6-2)9-8-16-13-12(15)14(21-7-3)18-11(17-13)10-20-4/h5-10,15H2,1-4H3,(H,16,17,18)
InChIKeyMLZLFKPLHCQNPK-UHFFFAOYSA-N
XLogP1.36
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458254
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
4-N-hexyl-2-(methoxymethyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82458644
6-butoxy-2-(methoxymethyl)-4-N-(3-methylbutyl)pyrimidine-4,5-diamine
CID 82458677
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
4-N-[2-(dimethylamino)ethyl]-6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456090
4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458253
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
2-cyclopropyl-4-N-[3-(diethylamino)propyl]-6-methoxypyrimidine-4,5-diamine
CID 82456191

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine (CID 82458581) is 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine is CCOc1nc(COC)nc(NCCN(CC)CC)c1N.
What is the InChIKey of 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine?
The InChIKey is MLZLFKPLHCQNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-5-19(6-2)9-8-16-13-12(15)14(21-7-3)18-11(17-13)10-20-4/h5-10,15H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine?
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine has a molecular weight of 297.40 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).