N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine

C12H12ClFN4 — CID 116974150

IUPACN'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(-c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C12H12ClFN4/c13-10-5-8(1-2-11(10)14)9-6-17-12(18-7-9)16-4-3-15/h1-2,5-7H,3-4,15H2,(H,16,17,18)
InChIKeyAZYBLBZEUGDLPF-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.31
Rot. Bonds4

About N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine

N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 116974150) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID116974150
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC NameN'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1ncc(-c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C12H12ClFN4/c13-10-5-8(1-2-11(10)14)9-6-17-12(18-7-9)16-4-3-15/h1-2,5-7H,3-4,15H2,(H,16,17,18)
InChIKeyAZYBLBZEUGDLPF-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]amino]ethanol
CID 116975007
N'-[5-(3-chlorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224110
N'-[5-(5-chloro-2-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116974151
N'-(5-fluoropyrimidin-2-yl)ethane-1,2-diamine
CID 112703775
2-[[5-(4-chlorophenyl)pyrimidin-2-yl]amino]ethanethiol
CID 116975365
4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine
CID 113324799
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
CID 68867415
N'-[5-(3-fluorophenoxy)pyrimidin-2-yl]ethane-1,2-diamine
CID 117224521
4-[2-(3-aminopropylamino)pyrimidin-5-yl]phenol
CID 117224175
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731

Frequently Asked Questions

What is the IUPAC name of N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine (CID 116974150) is N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1ncc(-c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is AZYBLBZEUGDLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c13-10-5-8(1-2-11(10)14)9-6-17-12(18-7-9)16-4-3-15/h1-2,5-7H,3-4,15H2,(H,16,17,18).
What are the key properties of N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 266.71 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(3-chloro-4-fluorophenyl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 116974150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).