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

C14H26N4O — CID 82458307

IUPAC4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCCNc1nc(CC(C)C)nc(OCC(C)C)c1N
InChIInChI=1S/C14H26N4O/c1-6-16-13-12(15)14(19-8-10(4)5)18-11(17-13)7-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17,18)
InChIKeyUPIBEHALYCGANL-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.72
Rot. Bonds7

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

4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82458307) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82458307
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCCNc1nc(CC(C)C)nc(OCC(C)C)c1N
InChIInChI=1S/C14H26N4O/c1-6-16-13-12(15)14(19-8-10(4)5)18-11(17-13)7-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17,18)
InChIKeyUPIBEHALYCGANL-UHFFFAOYSA-N
XLogP2.72
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458314
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458321
4-N-tert-butyl-6-(2-methylpropoxy)-2-propylpyrimidine-4,5-diamine
CID 82456109
6-butoxy-4-N,2-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458302
4-N-[2-(dimethylamino)ethyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458254
N-ethyl-5-methyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80988348
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728
4-N-[3-(dimethylamino)propyl]-6-ethoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458253
4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458201
6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82458261

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82458307) is 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine is CCNc1nc(CC(C)C)nc(OCC(C)C)c1N.
What is the InChIKey of 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is UPIBEHALYCGANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-16-13-12(15)14(19-8-10(4)5)18-11(17-13)7-9(2)3/h9-10H,6-8,15H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine?
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82458307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).