4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine

C16H18ClFN4O — CID 133422188

IUPAC4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCC(OCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H18ClFN4O/c17-14-9-15(21-16(19)20-14)22-7-5-13(6-8-22)23-10-11-1-3-12(18)4-2-11/h1-4,9,13H,5-8,10H2,(H2,19,20,21)
InChIKeyPCYSVDKFFDUIPZ-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.04
Rot. Bonds4

About 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 133422188) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
PubChem CID133422188
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC Name4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCC(OCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C16H18ClFN4O/c17-14-9-15(21-16(19)20-14)22-7-5-13(6-8-22)23-10-11-1-3-12(18)4-2-11/h1-4,9,13H,5-8,10H2,(H2,19,20,21)
InChIKeyPCYSVDKFFDUIPZ-UHFFFAOYSA-N
XLogP3.04
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-cyclopropyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidine
CID 133422205
4-chloro-6-[4-(2-iodophenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 133337356
2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]aniline
CID 28803465
5-chloro-2-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]benzonitrile
CID 133422042
4-chloro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-amine
CID 79033428
3-ethyl-5-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-1,2,4-thiadiazole
CID 133422180
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422121
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 104925064
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 52569216
4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline
CID 167908748
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chloropyrimidin-2-amine
CID 112725444

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine (CID 133422188) is 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCC(OCc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is PCYSVDKFFDUIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c17-14-9-15(21-16(19)20-14)22-7-5-13(6-8-22)23-10-11-1-3-12(18)4-2-11/h1-4,9,13H,5-8,10H2,(H2,19,20,21).
What are the key properties of 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 336.80 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133422188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).