5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

C15H26N4O — CID 80782110

IUPAC5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)C2CCCO2)c1CC
InChIInChI=1S/C15H26N4O/c1-4-8-16-14-12(5-2)15(18-10-17-14)19-11(3)13-7-6-9-20-13/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyYOGGNWGNFJWKFB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.84
Rot. Bonds7

About 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80782110) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80782110
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)C2CCCO2)c1CC
InChIInChI=1S/C15H26N4O/c1-4-8-16-14-12(5-2)15(18-10-17-14)19-11(3)13-7-6-9-20-13/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyYOGGNWGNFJWKFB-UHFFFAOYSA-N
XLogP2.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 80782110) is 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)C2CCCO2)c1CC.
What is the InChIKey of 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is YOGGNWGNFJWKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-8-16-14-12(5-2)15(18-10-17-14)19-11(3)13-7-6-9-20-13/h10-11,13H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80782110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).