1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C12H10ClF2N3 — CID 114275383

IUPAC1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C12H10ClF2N3/c1-16-12(7-4-17-6-18-5-7)10-8(13)2-3-9(14)11(10)15/h2-6,12,16H,1H3
InChIKeyGTPNTSZMXQGWAW-UHFFFAOYSA-N
MW269.68 g/mol
LogP2.72
Rot. Bonds3

About 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 114275383) has the molecular formula C12H10ClF2N3 and a molecular weight of 269.68 g/mol. Its IUPAC name is 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID114275383
Molecular FormulaC12H10ClF2N3
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C12H10ClF2N3/c1-16-12(7-4-17-6-18-5-7)10-8(13)2-3-9(14)11(10)15/h2-6,12,16H,1H3
InChIKeyGTPNTSZMXQGWAW-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 79522798
1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607978
1-(5-bromo-2-chlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827656
1-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82814658
[(2-chloro-6-fluorophenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292049
[(6-chloro-2,3-difluorophenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 114275473
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827336
1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103444180
N-[pyrimidin-5-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115827042
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 114275383) is 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1c(Cl)ccc(F)c1F.
What is the InChIKey of 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is GTPNTSZMXQGWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3/c1-16-12(7-4-17-6-18-5-7)10-8(13)2-3-9(14)11(10)15/h2-6,12,16H,1H3.
What are the key properties of 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 269.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-difluorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 114275383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).