5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine

C11H8ClF2N3 — CID 171995557

IUPAC5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1cccc(CNc2ncncc2Cl)c1F
InChIInChI=1S/C11H8ClF2N3/c12-8-5-15-6-17-11(8)16-4-7-2-1-3-9(13)10(7)14/h1-3,5-6H,4H2,(H,15,16,17)
InChIKeyYRUYASDRJDMFNK-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.02
Rot. Bonds3

About 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine

5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 171995557) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine
PubChem CID171995557
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1cccc(CNc2ncncc2Cl)c1F
InChIInChI=1S/C11H8ClF2N3/c12-8-5-15-6-17-11(8)16-4-7-2-1-3-9(13)10(7)14/h1-3,5-6H,4H2,(H,15,16,17)
InChIKeyYRUYASDRJDMFNK-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920
5-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 105369277
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
N-[(2,3-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113278289
2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
CID 107678317
1-[4-[[5-chloro-4-[(2,3-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]propan-2-ol
CID 90022775
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 86804857
N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
CID 43425578

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine (CID 171995557) is 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine is Fc1cccc(CNc2ncncc2Cl)c1F.
What is the InChIKey of 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is YRUYASDRJDMFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c12-8-5-15-6-17-11(8)16-4-7-2-1-3-9(13)10(7)14/h1-3,5-6H,4H2,(H,15,16,17).
What are the key properties of 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine?
5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 255.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 171995557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).