2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine

C8H9ClFN3 — CID 106196739

IUPAC2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
SMILESC=C(C)CNc1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN3/c1-5(2)3-11-7-6(10)4-12-8(9)13-7/h4H,1,3H2,2H3,(H,11,12,13)
InChIKeyCEMBJRNAZMLCJJ-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine (PubChem CID 106196739) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
PubChem CID106196739
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC Name2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
SMILESC=C(C)CNc1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN3/c1-5(2)3-11-7-6(10)4-12-8(9)13-7/h4H,1,3H2,2H3,(H,11,12,13)
InChIKeyCEMBJRNAZMLCJJ-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine
CID 106196178
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350737
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetaldehyde
CID 144524203
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154908
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192316
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79081639
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79081851
2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 79080911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine (CID 106196739) is 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine is C=C(C)CNc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine?
The InChIKey is CEMBJRNAZMLCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c1-5(2)3-11-7-6(10)4-12-8(9)13-7/h4H,1,3H2,2H3,(H,11,12,13).
What are the key properties of 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine has a molecular weight of 201.63 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine is sourced from PubChem (CID 106196739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).