2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine

C16H22N4 — CID 80986988

IUPAC2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCCCc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-3-14-19-15(17)12(2)16(20-14)18-11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3,(H3,17,18,19,20)
InChIKeyNOOHPOFWNOAIIY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.97
Rot. Bonds6

About 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine

2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 80986988) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID80986988
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCCCc2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-3-14-19-15(17)12(2)16(20-14)18-11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3,(H3,17,18,19,20)
InChIKeyNOOHPOFWNOAIIY-UHFFFAOYSA-N
XLogP2.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985293
6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980727
2-ethyl-4-N-[(2-methoxyphenyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80981869
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981531
6-chloro-4,5-dimethyl-N-(3-phenylpropyl)pyridazin-3-amine
CID 63271631
6-N,5-dimethyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 80790674
4-N-[2-(furan-2-yl)ethyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80987278
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine (CID 80986988) is 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCCCc2ccccc2)n1.
What is the InChIKey of 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is NOOHPOFWNOAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-14-19-15(17)12(2)16(20-14)18-11-7-10-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-N-(3-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80986988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).