2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine

C15H27N5O2 — CID 82455713

IUPAC2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(CC)nc(NCCN2CCOCC2)c1N
InChIInChI=1S/C15H27N5O2/c1-3-9-22-15-13(16)14(18-12(4-2)19-15)17-5-6-20-7-10-21-11-8-20/h3-11,16H2,1-2H3,(H,17,18,19)
InChIKeyRPPHVJBSFNIFNX-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.15
Rot. Bonds8

About 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine

2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 82455713) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID82455713
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(CC)nc(NCCN2CCOCC2)c1N
InChIInChI=1S/C15H27N5O2/c1-3-9-22-15-13(16)14(18-12(4-2)19-15)17-5-6-20-7-10-21-11-8-20/h3-11,16H2,1-2H3,(H,17,18,19)
InChIKeyRPPHVJBSFNIFNX-UHFFFAOYSA-N
XLogP1.15
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 82455409
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
CID 82455993
6-ethyl-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56883329
4-N-(2-morpholin-4-ylethyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152522
3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
CID 134108728
4-chloro-N-(2-morpholin-4-ylethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62870405
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
6-chloro-2-ethyl-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79557316
6-N-ethyl-2,5-dimethyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 80778253
2-N-[2-(azepan-1-yl)ethyl]-6-propoxypyridine-2,5-diamine
CID 61239615

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine (CID 82455713) is 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(CC)nc(NCCN2CCOCC2)c1N.
What is the InChIKey of 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is RPPHVJBSFNIFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-3-9-22-15-13(16)14(18-12(4-2)19-15)17-5-6-20-7-10-21-11-8-20/h3-11,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine?
2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 309.41 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82455713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).