N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

C16H18ClFN4 — CID 112868898

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)c(Cl)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C16H18ClFN4/c1-11-19-15(21-12-5-6-14(18)13(17)9-12)10-16(20-11)22-7-3-2-4-8-22/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20,21)
InChIKeyOIRVWAWDZOSXHS-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.31
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine

N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112868898) has the molecular formula C16H18ClFN4 and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112868898
Molecular FormulaC16H18ClFN4
Molecular Weight320.80 g/mol
Exact Mass320.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(F)c(Cl)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C16H18ClFN4/c1-11-19-15(21-12-5-6-14(18)13(17)9-12)10-16(20-11)22-7-3-2-4-8-22/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20,21)
InChIKeyOIRVWAWDZOSXHS-UHFFFAOYSA-N
XLogP4.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-amine
CID 112870917
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868580
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine
CID 167778402
N-(3-chloro-4-fluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362807
1-(4-chlorophenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50747982
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851
N-(2-chlorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868891
N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748367
N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876634

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine (CID 112868898) is N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is Cc1nc(Nc2ccc(F)c(Cl)c2)cc(N2CCCCC2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is OIRVWAWDZOSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4/c1-11-19-15(21-12-5-6-14(18)13(17)9-12)10-16(20-11)22-7-3-2-4-8-22/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine?
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 320.80 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112868898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).