6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine

C13H24N4 — CID 80783228

IUPAC6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)CC(C)C)c1C
InChIInChI=1S/C13H24N4/c1-6-14-12-11(5)13(16-8-15-12)17-10(4)7-9(2)3/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyXLSOZSFWEPJVFG-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.06
Rot. Bonds6

About 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 80783228) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
PubChem CID80783228
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)CC(C)C)c1C
InChIInChI=1S/C13H24N4/c1-6-14-12-11(5)13(16-8-15-12)17-10(4)7-9(2)3/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyXLSOZSFWEPJVFG-UHFFFAOYSA-N
XLogP3.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80782943
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80814407
4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80827161
6-N-ethyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701780
4-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114072688
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80847941

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine (CID 80783228) is 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine is CCNc1ncnc(NC(C)CC(C)C)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is XLSOZSFWEPJVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-14-12-11(5)13(16-8-15-12)17-10(4)7-9(2)3/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80783228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).