6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine

C17H24N4 — CID 80798116

IUPAC6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(CC)c2ccccc2)c1C
InChIInChI=1S/C17H24N4/c1-5-15(14-10-8-7-9-11-14)21-17-12(3)16(18-6-2)19-13(4)20-17/h7-11,15H,5-6H2,1-4H3,(H2,18,19,20,21)
InChIKeyQUGMALIYPYXJND-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.09
Rot. Bonds6

About 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine

6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 80798116) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID80798116
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(CC)c2ccccc2)c1C
InChIInChI=1S/C17H24N4/c1-5-15(14-10-8-7-9-11-14)21-17-12(3)16(18-6-2)19-13(4)20-17/h7-11,15H,5-6H2,1-4H3,(H2,18,19,20,21)
InChIKeyQUGMALIYPYXJND-UHFFFAOYSA-N
XLogP4.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-5-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80821688
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
6-hydrazinyl-2-methyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80908283
2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80822605
3-N-(1-phenylpropyl)quinoxaline-2,3-diamine
CID 102984207
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277
6-N-ethyl-2,5-dimethyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80836692
6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896820
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-(2-propylphenyl)pyrimidine-4,6-diamine
CID 80783110
4-N-[2-(dimethylamino)phenyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 106761016
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779814

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine (CID 80798116) is 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine is CCNc1nc(C)nc(NC(CC)c2ccccc2)c1C.
What is the InChIKey of 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is QUGMALIYPYXJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-15(14-10-8-7-9-11-14)21-17-12(3)16(18-6-2)19-13(4)20-17/h7-11,15H,5-6H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine?
6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80798116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).