2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine

C16H22N4O — CID 112886080

IUPAC2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1nccc(NCCCOC)n1
InChIInChI=1S/C16H22N4O/c1-3-13-7-4-5-8-14(13)19-16-18-11-9-15(20-16)17-10-6-12-21-2/h4-5,7-9,11H,3,6,10,12H2,1-2H3,(H2,17,18,19,20)
InChIKeyWFNNNVGOXLYKGB-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.23
Rot. Bonds8

About 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine

2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine (PubChem CID 112886080) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
PubChem CID112886080
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
SMILESCCc1ccccc1Nc1nccc(NCCCOC)n1
InChIInChI=1S/C16H22N4O/c1-3-13-7-4-5-8-14(13)19-16-18-11-9-15(20-16)17-10-6-12-21-2/h4-5,7-9,11H,3,6,10,12H2,1-2H3,(H2,17,18,19,20)
InChIKeyWFNNNVGOXLYKGB-UHFFFAOYSA-N
XLogP3.23
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935189
2-N-(3-chloro-2-methylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886096
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885809
4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112886134
4-N-(3-methoxypropyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886137
2-N-(2,4-difluorophenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886150
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886110
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886323
4-N-(2-methoxyethyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112885753
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112901390

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine (CID 112886080) is 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine is CCc1ccccc1Nc1nccc(NCCCOC)n1.
What is the InChIKey of 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is WFNNNVGOXLYKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-13-7-4-5-8-14(13)19-16-18-11-9-15(20-16)17-10-6-12-21-2/h4-5,7-9,11H,3,6,10,12H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine?
2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112886080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).