N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine

C8H9ClFN3 — CID 106196178

IUPACN-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine
SMILESC=CCCNc1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN3/c1-2-3-4-11-7-6(10)5-12-8(9)13-7/h2,5H,1,3-4H2,(H,11,12,13)
InChIKeyKSYMHCVUGPMYHB-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.26
Rot. Bonds4

About N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine

N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine (PubChem CID 106196178) has the molecular formula C8H9ClFN3 and a molecular weight of 201.63 g/mol. Its IUPAC name is N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine
PubChem CID106196178
Molecular FormulaC8H9ClFN3
Molecular Weight201.63 g/mol
Exact Mass201.05
IUPAC NameN-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine
SMILESC=CCCNc1nc(Cl)ncc1F
InChIInChI=1S/C8H9ClFN3/c1-2-3-4-11-7-6(10)5-12-8(9)13-7/h2,5H,1,3-4H2,(H,11,12,13)
InChIKeyKSYMHCVUGPMYHB-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(but-3-enylamino)-2-chloropyrimidine-5-carboxamide
CID 138495192
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetaldehyde
CID 144524203
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
CID 79081252
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79081639
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 79080717
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
2-chloro-5-fluoro-N-hex-5-ynylpyrimidin-4-amine
CID 106214445
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79081851
N-[2-(4-bromophenyl)ethyl]-2-chloro-5-fluoropyrimidin-4-amine
CID 87926310
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethyl carbamate
CID 83203927
2-chloro-5-fluoro-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 79076200

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine?
The IUPAC name of N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine (CID 106196178) is N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine is C=CCCNc1nc(Cl)ncc1F.
What is the InChIKey of N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine?
The InChIKey is KSYMHCVUGPMYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3/c1-2-3-4-11-7-6(10)5-12-8(9)13-7/h2,5H,1,3-4H2,(H,11,12,13).
What are the key properties of N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine?
N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine has a molecular weight of 201.63 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-chloro-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 106196178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).