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

C15H16ClFN4 — CID 112884544

IUPACN-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCCCC3)n2)cc1Cl
InChIInChI=1S/C15H16ClFN4/c16-12-10-11(4-5-13(12)17)19-15-18-7-6-14(20-15)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,19,20)
InChIKeyOQWGIBXZCZUVEE-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.00
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884544) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884544
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESFc1ccc(Nc2nccc(N3CCCCC3)n2)cc1Cl
InChIInChI=1S/C15H16ClFN4/c16-12-10-11(4-5-13(12)17)19-15-18-7-6-14(20-15)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,19,20)
InChIKeyOQWGIBXZCZUVEE-UHFFFAOYSA-N
XLogP4.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883986
N-(3-chloro-4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896431
N-(3-chloro-4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901029
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564
4-(azepan-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112901579
6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrazin-2-amine
CID 167778402
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-(2,4-difluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884594
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430
azane;4-N-(3-chloro-4-fluorophenyl)-2-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 145468383

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine (CID 112884544) is N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine is Fc1ccc(Nc2nccc(N3CCCCC3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is OQWGIBXZCZUVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c16-12-10-11(4-5-13(12)17)19-15-18-7-6-14(20-15)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,18,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine?
N-(3-chloro-4-fluorophenyl)-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 306.77 g/mol, XLogP of 4.00, 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-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).