4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine

C21H23FN4 — CID 112879209

IUPAC4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23FN4/c1-2-13-23-19-15-20(24-14-12-16-8-10-18(22)11-9-16)26-21(25-19)17-6-4-3-5-7-17/h3-11,15H,2,12-14H2,1H3,(H2,23,24,25,26)
InChIKeyUSISITLKGFEQIQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.76
Rot. Bonds8

About 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine

4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 112879209) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID112879209
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H23FN4/c1-2-13-23-19-15-20(24-14-12-16-8-10-18(22)11-9-16)26-21(25-19)17-6-4-3-5-7-17/h3-11,15H,2,12-14H2,1H3,(H2,23,24,25,26)
InChIKeyUSISITLKGFEQIQ-UHFFFAOYSA-N
XLogP4.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
4-N-[2-(4-fluorophenyl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880403
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80785034
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 3472012
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112881490

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine (CID 112879209) is 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCc2ccc(F)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is USISITLKGFEQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-2-13-23-19-15-20(24-14-12-16-8-10-18(22)11-9-16)26-21(25-19)17-6-4-3-5-7-17/h3-11,15H,2,12-14H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 350.44 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).