5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine

C8H12ClFN4 — CID 67926132

IUPAC5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine
SMILESCNCCc1nc(NC)nc(F)c1Cl
InChIInChI=1S/C8H12ClFN4/c1-11-4-3-5-6(9)7(10)14-8(12-2)13-5/h11H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyPLUHVWOHAWLEFZ-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.07
Rot. Bonds4

About 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine

5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine (PubChem CID 67926132) has the molecular formula C8H12ClFN4 and a molecular weight of 218.66 g/mol. Its IUPAC name is 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine
PubChem CID67926132
Molecular FormulaC8H12ClFN4
Molecular Weight218.66 g/mol
Exact Mass218.07
IUPAC Name5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine
SMILESCNCCc1nc(NC)nc(F)c1Cl
InChIInChI=1S/C8H12ClFN4/c1-11-4-3-5-6(9)7(10)14-8(12-2)13-5/h11H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyPLUHVWOHAWLEFZ-UHFFFAOYSA-N
XLogP1.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-ethyl-5-fluoropyrimidine
CID 16743445
2,4-Dichloro-6-ethyl-5-fluoropyrimidine
CID 22323353
5-chloro-N-(9,9-difluorononan-3-yl)-6-ethylpyrimidin-4-amine
CID 15016163
5-Chloro-4-fluoro-6-(1-fluoroethyl)pyrimidine
CID 18982864
5-chloro-6-ethyl-N-(9-fluoroundecan-3-yl)pyrimidin-4-amine
CID 23049205
5-Chloro-6-(1-fluoroethyl)pyrimidin-4-amine
CID 54088424
5-chloro-6-(1-chloroethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 67847968
5-Chloro-6-(2-fluoroethyl)pyrimidin-4-amine
CID 89725052
5-Chloro-4-(1-fluoroethyl)-6-methylpyrimidine
CID 118072320
2-chloro-6-ethyl-5-fluoro-N-methylpyrimidin-4-amine
CID 132009508
5-Chloro-4-(1-fluoroethyl)-6-piperazin-1-ylpyrimidine
CID 140057097
1-N-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethyl]-1-N-methylbutane-1,3-diamine
CID 144518237

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine (CID 67926132) is 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine is CNCCc1nc(NC)nc(F)c1Cl.
What is the InChIKey of 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine?
The InChIKey is PLUHVWOHAWLEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClFN4/c1-11-4-3-5-6(9)7(10)14-8(12-2)13-5/h11H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine?
5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine has a molecular weight of 218.66 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-N-methyl-6-[2-(methylamino)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 67926132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).