6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine

C14H17FN4 — CID 112855174

IUPAC6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C14H17FN4/c1-2-3-8-16-13-9-14(18-10-17-13)19-12-6-4-11(15)5-7-12/h4-7,9-10H,2-3,8H2,1H3,(H2,16,17,18,19)
InChIKeyIVBUTSCBFOIBRG-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.57
Rot. Bonds6

About 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine

6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine (PubChem CID 112855174) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
PubChem CID112855174
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
SMILESCCCCNc1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C14H17FN4/c1-2-3-8-16-13-9-14(18-10-17-13)19-12-6-4-11(15)5-7-12/h4-7,9-10H,2-3,8H2,1H3,(H2,16,17,18,19)
InChIKeyIVBUTSCBFOIBRG-UHFFFAOYSA-N
XLogP3.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.57
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

6-N-butyl-4-N-(4-tert-butylphenyl)pyrimidine-4,6-diamine
CID 112855172
6-N-butyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855199
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864011
6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112855212
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434
4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854982
N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861452
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865264
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865366

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine (CID 112855174) is 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine is CCCCNc1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
The InChIKey is IVBUTSCBFOIBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-2-3-8-16-13-9-14(18-10-17-13)19-12-6-4-11(15)5-7-12/h4-7,9-10H,2-3,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine?
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).