5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine

C14H16ClFN4 — CID 80788298

IUPAC5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C14H16ClFN4/c1-2-17-14-19-9-12(15)13(20-14)18-7-6-10-4-3-5-11(16)8-10/h3-5,8-9H,2,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyUXRYFNUGNZDOSU-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.36
Rot. Bonds6

About 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine

5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80788298) has the molecular formula C14H16ClFN4 and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80788298
Molecular FormulaC14H16ClFN4
Molecular Weight294.76 g/mol
Exact Mass294.10
IUPAC Name5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C14H16ClFN4/c1-2-17-14-19-9-12(15)13(20-14)18-7-6-10-4-3-5-11(16)8-10/h3-5,8-9H,2,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyUXRYFNUGNZDOSU-UHFFFAOYSA-N
XLogP3.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-[2-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80774383
5-chloro-2-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 80791754
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
5-bromo-3-chloro-N-[2-(3-fluorophenyl)ethyl]pyridin-2-amine
CID 103582390
5-bromo-4-N-[2-(3,5-difluorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80803729
5-bromo-2-N-ethyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826619
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80788066
5-chloro-4-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80805633
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
5-chloro-2-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 80760360
4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80772301

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine (CID 80788298) is 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is UXRYFNUGNZDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4/c1-2-17-14-19-9-12(15)13(20-14)18-7-6-10-4-3-5-11(16)8-10/h3-5,8-9H,2,6-7H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine?
5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 294.76 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-ethyl-4-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80788298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).