N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

C16H18ClFN4 — CID 112901029

IUPACN-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCCN(c2ccnc(Nc3ccc(F)c(Cl)c3)n2)C1
InChIInChI=1S/C16H18ClFN4/c1-11-3-2-8-22(10-11)15-6-7-19-16(21-15)20-12-4-5-14(18)13(17)9-12/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,20,21)
InChIKeyZEDZFUANLMPYIN-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.25
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112901029) has the molecular formula C16H18ClFN4 and a molecular weight of 320.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112901029
Molecular FormulaC16H18ClFN4
Molecular Weight320.80 g/mol
Exact Mass320.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCC1CCCN(c2ccnc(Nc3ccc(F)c(Cl)c3)n2)C1
InChIInChI=1S/C16H18ClFN4/c1-11-3-2-8-22(10-11)15-6-7-19-16(21-15)20-12-4-5-14(18)13(17)9-12/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,20,21)
InChIKeyZEDZFUANLMPYIN-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884544
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901090
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960699
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112900997
N-tert-butyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112899803
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901071
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112894597
[2-(3,4-dichloroanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312853
N-(2-ethylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901009
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)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112901029) is N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is CC1CCCN(c2ccnc(Nc3ccc(F)c(Cl)c3)n2)C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is ZEDZFUANLMPYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4/c1-11-3-2-8-22(10-11)15-6-7-19-16(21-15)20-12-4-5-14(18)13(17)9-12/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 320.80 g/mol, XLogP of 4.25, 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)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112901029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).