4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine

C15H26N4O — CID 79112428

IUPAC4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCCCOc1cc(N(CC)C2CCC(N)CC2)ncn1
InChIInChI=1S/C15H26N4O/c1-3-9-20-15-10-14(17-11-18-15)19(4-2)13-7-5-12(16)6-8-13/h10-13H,3-9,16H2,1-2H3
InChIKeyGJLCUNLSQWTJPZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds6

About 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine (PubChem CID 79112428) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine
PubChem CID79112428
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine
SMILESCCCOc1cc(N(CC)C2CCC(N)CC2)ncn1
InChIInChI=1S/C15H26N4O/c1-3-9-20-15-10-14(17-11-18-15)19(4-2)13-7-5-12(16)6-8-13/h10-13H,3-9,16H2,1-2H3
InChIKeyGJLCUNLSQWTJPZ-UHFFFAOYSA-N
XLogP2.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine (CID 79112428) is 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine is CCCOc1cc(N(CC)C2CCC(N)CC2)ncn1.
What is the InChIKey of 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine?
The InChIKey is GJLCUNLSQWTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-9-20-15-10-14(17-11-18-15)19(4-2)13-7-5-12(16)6-8-13/h10-13H,3-9,16H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(6-propoxypyrimidin-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79112428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).