6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine

C15H22N4O — CID 80800277

IUPAC6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)c2ccc(C)o2)c1C
InChIInChI=1S/C15H22N4O/c1-6-16-14-10(3)15(19-12(5)18-14)17-11(4)13-8-7-9(2)20-13/h7-8,11H,6H2,1-5H3,(H2,16,17,18,19)
InChIKeyCSMCBBDNEYNPPH-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.60
Rot. Bonds5

About 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine

6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80800277) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80800277
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)c2ccc(C)o2)c1C
InChIInChI=1S/C15H22N4O/c1-6-16-14-10(3)15(19-12(5)18-14)17-11(4)13-8-7-9(2)20-13/h7-8,11H,6H2,1-5H3,(H2,16,17,18,19)
InChIKeyCSMCBBDNEYNPPH-UHFFFAOYSA-N
XLogP3.60
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800701
2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800278
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955
2-N-ethyl-6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801180
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713
6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80798116
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80813302
6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80897937
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
CID 102750656
4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838415
6-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80800953

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80800277) is 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine is CCNc1nc(C)nc(NC(C)c2ccc(C)o2)c1C.
What is the InChIKey of 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is CSMCBBDNEYNPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-6-16-14-10(3)15(19-12(5)18-14)17-11(4)13-8-7-9(2)20-13/h7-8,11H,6H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine?
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80800277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).