4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

C15H13FN4O — CID 112858686

IUPAC4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESFc1cccc(Nc2cc(NCc3ccco3)ncn2)c1
InChIInChI=1S/C15H13FN4O/c16-11-3-1-4-12(7-11)20-15-8-14(18-10-19-15)17-9-13-5-2-6-21-13/h1-8,10H,9H2,(H2,17,18,19,20)
InChIKeyXENKXUQVISTVPW-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.56
Rot. Bonds5

About 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112858686) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112858686
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESFc1cccc(Nc2cc(NCc3ccco3)ncn2)c1
InChIInChI=1S/C15H13FN4O/c16-11-3-1-4-12(7-11)20-15-8-14(18-10-19-15)17-9-13-5-2-6-21-13/h1-8,10H,9H2,(H2,17,18,19,20)
InChIKeyXENKXUQVISTVPW-UHFFFAOYSA-N
XLogP3.56
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858614
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
5-N-(3-fluorophenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947481
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
4-N-(2,6-diethylphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858634
6-N-(furan-2-ylmethyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112858660
4-N-tert-butyl-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858600
6-N-(furan-2-ylmethyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112858694
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566
4-N-(2-ethoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858656
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117480

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine (CID 112858686) is 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is Fc1cccc(Nc2cc(NCc3ccco3)ncn2)c1.
What is the InChIKey of 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is XENKXUQVISTVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-3-1-4-12(7-11)20-15-8-14(18-10-19-15)17-9-13-5-2-6-21-13/h1-8,10H,9H2,(H2,17,18,19,20).
What are the key properties of 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 284.29 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).