N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine

C10H6Cl2FN3 — CID 115416269

IUPACN-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
SMILESFc1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C10H6Cl2FN3/c11-6-2-1-3-7(10(6)12)16-9-4-8(13)14-5-15-9/h1-5H,(H,14,15,16)
InChIKeyOFIHACRITOLPFN-UHFFFAOYSA-N
MW258.08 g/mol
LogP3.67
Rot. Bonds2

About N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine

N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine (PubChem CID 115416269) has the molecular formula C10H6Cl2FN3 and a molecular weight of 258.08 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
PubChem CID115416269
Molecular FormulaC10H6Cl2FN3
Molecular Weight258.08 g/mol
Exact Mass256.99
IUPAC NameN-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
SMILESFc1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C10H6Cl2FN3/c11-6-2-1-3-7(10(6)12)16-9-4-8(13)14-5-15-9/h1-5H,(H,14,15,16)
InChIKeyOFIHACRITOLPFN-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
CID 112858865
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866516
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348243
4-N-(2,3-dichlorophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860320
N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 104724896
N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
CID 113305662
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine (CID 115416269) is N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine is Fc1cc(Nc2cccc(Cl)c2Cl)ncn1.
What is the InChIKey of N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is OFIHACRITOLPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3/c11-6-2-1-3-7(10(6)12)16-9-4-8(13)14-5-15-9/h1-5H,(H,14,15,16).
What are the key properties of N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine?
N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine has a molecular weight of 258.08 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).