5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine

C16H22FN5 — CID 67281260

IUPAC5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
SMILESCN(C)CCCCc1cnc(Nc2cccc(F)c2)nc1N
InChIInChI=1S/C16H22FN5/c1-22(2)9-4-3-6-12-11-19-16(21-15(12)18)20-14-8-5-7-13(17)10-14/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H3,18,19,20,21)
InChIKeyWMBCDWDJBYEVAQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.83
Rot. Bonds7

About 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine

5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 67281260) has the molecular formula C16H22FN5 and a molecular weight of 303.38 g/mol. Its IUPAC name is 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID67281260
Molecular FormulaC16H22FN5
Molecular Weight303.38 g/mol
Exact Mass303.19
IUPAC Name5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
SMILESCN(C)CCCCc1cnc(Nc2cccc(F)c2)nc1N
InChIInChI=1S/C16H22FN5/c1-22(2)9-4-3-6-12-11-19-16(21-15(12)18)20-14-8-5-7-13(17)10-14/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H3,18,19,20,21)
InChIKeyWMBCDWDJBYEVAQ-UHFFFAOYSA-N
XLogP2.83
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,3-dichlorophenyl)-5-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 67280661
2-N-(2,6-dichlorophenyl)-5-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 67280857
5-[3-(dimethylamino)propyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 69477027
5-[2-(dimethylamino)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 66904290
5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
CID 155559046
2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80928492
N-(3-fluorophenyl)-5-iodopyrimidin-2-amine
CID 116648839
4-N-[3-[chloro(methyl)amino]propyl]-5-cyclopropyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 89092411
5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
CID 91567782
N-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
CID 117100689
N-butyl-2-(3-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109312393
5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 69475667

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine (CID 67281260) is 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine is CN(C)CCCCc1cnc(Nc2cccc(F)c2)nc1N.
What is the InChIKey of 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is WMBCDWDJBYEVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5/c1-22(2)9-4-3-6-12-11-19-16(21-15(12)18)20-14-8-5-7-13(17)10-14/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine?
5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 303.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 67281260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).