4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine

C17H25N5 — CID 112887656

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2nccc(NCCCN(C)C)n2)cc1
InChIInChI=1S/C17H25N5/c1-4-14-6-8-15(9-7-14)20-17-19-12-10-16(21-17)18-11-5-13-22(2)3/h6-10,12H,4-5,11,13H2,1-3H3,(H2,18,19,20,21)
InChIKeyFWGFMYCSBGFQIF-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.15
Rot. Bonds8

About 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine (PubChem CID 112887656) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
PubChem CID112887656
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
SMILESCCc1ccc(Nc2nccc(NCCCN(C)C)n2)cc1
InChIInChI=1S/C17H25N5/c1-4-14-6-8-15(9-7-14)20-17-19-12-10-16(21-17)18-11-5-13-22(2)3/h6-10,12H,4-5,11,13H2,1-3H3,(H2,18,19,20,21)
InChIKeyFWGFMYCSBGFQIF-UHFFFAOYSA-N
XLogP3.15
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.15
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

4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485
2-N-(4-ethylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900354
4-N-[3-(dimethylamino)propyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112887704
1-[4-[[4-[3-(dimethylamino)propylamino]pyrimidin-2-yl]amino]phenyl]ethanone
CID 112887688
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
4-N-[3-(dimethylamino)propyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112887588
4-N-[3-(dimethylamino)propyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112887601
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 23652592
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908527
N-[4-[[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112887854

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine (CID 112887656) is 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine is CCc1ccc(Nc2nccc(NCCCN(C)C)n2)cc1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is FWGFMYCSBGFQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-4-14-6-8-15(9-7-14)20-17-19-12-10-16(21-17)18-11-5-13-22(2)3/h6-10,12H,4-5,11,13H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112887656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).