N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C18H16ClFN4 — CID 133356492

IUPACN-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2c(F)cccc2Cl)nc(-c2cccnc2)n1
InChIInChI=1S/C18H16ClFN4/c1-11-9-16(24-18(22-11)13-5-4-8-21-10-13)23-12(2)17-14(19)6-3-7-15(17)20/h3-10,12H,1-2H3,(H,22,23,24)
InChIKeyWSNGWEHFOLGNQK-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.81
Rot. Bonds4

About N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133356492) has the molecular formula C18H16ClFN4 and a molecular weight of 342.81 g/mol. Its IUPAC name is N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133356492
Molecular FormulaC18H16ClFN4
Molecular Weight342.81 g/mol
Exact Mass342.10
IUPAC NameN-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2c(F)cccc2Cl)nc(-c2cccnc2)n1
InChIInChI=1S/C18H16ClFN4/c1-11-9-16(24-18(22-11)13-5-4-8-21-10-13)23-12(2)17-14(19)6-3-7-15(17)20/h3-10,12H,1-2H3,(H,22,23,24)
InChIKeyWSNGWEHFOLGNQK-UHFFFAOYSA-N
XLogP4.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333100
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
N-[1-(2-chloro-6-fluorophenyl)ethyl]pyridin-2-amine
CID 133356517
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
2-[4-fluoro-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]phenyl]acetaldehyde
CID 90356704
6-methyl-N-piperidin-4-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 94075322
4-fluoro-N-(2-fluoroethyl)-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide
CID 78319456
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133279755
3-fluoro-N-(2-fluoroethyl)-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]benzamide;hydrochloride
CID 90352995
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62483636
6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 1489533
(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol
CID 156866263

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133356492) is N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(NC(C)c2c(F)cccc2Cl)nc(-c2cccnc2)n1.
What is the InChIKey of N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is WSNGWEHFOLGNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4/c1-11-9-16(24-18(22-11)13-5-4-8-21-10-13)23-12(2)17-14(19)6-3-7-15(17)20/h3-10,12H,1-2H3,(H,22,23,24).
What are the key properties of N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 342.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133356492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).