6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

C15H20FN5 — CID 112857813

IUPAC6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(Nc2ccccc2F)ncn1
InChIInChI=1S/C15H20FN5/c1-21(2)9-5-8-17-14-10-15(19-11-18-14)20-13-7-4-3-6-12(13)16/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyHQZCGTGRNTWWGR-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.72
Rot. Bonds7

About 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112857813) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID112857813
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(Nc2ccccc2F)ncn1
InChIInChI=1S/C15H20FN5/c1-21(2)9-5-8-17-14-10-15(19-11-18-14)20-13-7-4-3-6-12(13)16/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyHQZCGTGRNTWWGR-UHFFFAOYSA-N
XLogP2.72
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.72
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

6-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112857443
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
6-N-[3-(dimethylamino)propyl]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857799
4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857881
6-N-[3-(dimethylamino)propyl]-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112857808
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
6-N-[3-(dimethylamino)propyl]-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857728
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine (CID 112857813) is 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine is CN(C)CCCNc1cc(Nc2ccccc2F)ncn1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is HQZCGTGRNTWWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-21(2)9-5-8-17-14-10-15(19-11-18-14)20-13-7-4-3-6-12(13)16/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 289.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).