2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

C7H6ClFN6 — CID 106193136

IUPAC2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ncn[nH]1
InChIInChI=1S/C7H6ClFN6/c8-7-11-1-4(9)6(14-7)10-2-5-12-3-13-15-5/h1,3H,2H2,(H,10,11,14)(H,12,13,15)
InChIKeyZCFHIMDVJWRJSM-UHFFFAOYSA-N
MW228.62 g/mol
LogP1.00
Rot. Bonds3

About 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106193136) has the molecular formula C7H6ClFN6 and a molecular weight of 228.62 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106193136
Molecular FormulaC7H6ClFN6
Molecular Weight228.62 g/mol
Exact Mass228.03
IUPAC Name2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ncn[nH]1
InChIInChI=1S/C7H6ClFN6/c8-7-11-1-4(9)6(14-7)10-2-5-12-3-13-15-5/h1,3H,2H2,(H,10,11,14)(H,12,13,15)
InChIKeyZCFHIMDVJWRJSM-UHFFFAOYSA-N
XLogP1.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.62
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194384
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
3,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridin-2-amine
CID 112675660
2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195152
2-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-amine
CID 106193165
2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 79080911
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetaldehyde
CID 144524203
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106014067
N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine
CID 106196178
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine (CID 106193136) is 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is Fc1cnc(Cl)nc1NCc1ncn[nH]1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZCFHIMDVJWRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN6/c8-7-11-1-4(9)6(14-7)10-2-5-12-3-13-15-5/h1,3H,2H2,(H,10,11,14)(H,12,13,15).
What are the key properties of 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 228.62 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106193136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).