4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine

C14H24N4O2 — CID 82457926

IUPAC4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
SMILESCCNc1nc(C2CCCO2)nc(OCC(C)C)c1N
InChIInChI=1S/C14H24N4O2/c1-4-16-13-11(15)14(20-8-9(2)3)18-12(17-13)10-6-5-7-19-10/h9-10H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyKHBFLBYGOJMOKB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.38
Rot. Bonds6

About 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine

4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine (PubChem CID 82457926) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
PubChem CID82457926
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
SMILESCCNc1nc(C2CCCO2)nc(OCC(C)C)c1N
InChIInChI=1S/C14H24N4O2/c1-4-16-13-11(15)14(20-8-9(2)3)18-12(17-13)10-6-5-7-19-10/h9-10H,4-8,15H2,1-3H3,(H,16,17,18)
InChIKeyKHBFLBYGOJMOKB-UHFFFAOYSA-N
XLogP2.38
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine (CID 82457926) is 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine is CCNc1nc(C2CCCO2)nc(OCC(C)C)c1N.
What is the InChIKey of 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is KHBFLBYGOJMOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-16-13-11(15)14(20-8-9(2)3)18-12(17-13)10-6-5-7-19-10/h9-10H,4-8,15H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 280.37 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82457926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).