N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

C17H21ClFN5 — CID 175649256

IUPACN-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ccc(Cl)cn3)CC2)nc(C)n1
InChIInChI=1S/C17H21ClFN5/c1-12-9-15(23-13(2)22-12)21-11-17(19)5-7-24(8-6-17)16-4-3-14(18)10-20-16/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22,23)
InChIKeySKDOHAZTFCOWKM-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.56
Rot. Bonds4

About N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine

N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 175649256) has the molecular formula C17H21ClFN5 and a molecular weight of 349.84 g/mol. Its IUPAC name is N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID175649256
Molecular FormulaC17H21ClFN5
Molecular Weight349.84 g/mol
Exact Mass349.15
IUPAC NameN-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ccc(Cl)cn3)CC2)nc(C)n1
InChIInChI=1S/C17H21ClFN5/c1-12-9-15(23-13(2)22-12)21-11-17(19)5-7-24(8-6-17)16-4-3-14(18)10-20-16/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22,23)
InChIKeySKDOHAZTFCOWKM-UHFFFAOYSA-N
XLogP3.56
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-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

N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649654
6-[4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]-4-fluoropiperidin-1-yl]pyridine-3-carbonitrile
CID 166604738
N-[[4-fluoro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 166604813
N-[[4-fluoro-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649458
N-[[4-fluoro-1-(7-methylpurin-6-yl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 171323725
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
6-(5-chloro-2-pyridinyl)-2,2-difluoro-6-azaspiro[2.5]octane
CID 172899520
8-(5-chloro-2-pyridinyl)-8-azaspiro[4.5]decane
CID 66233219
ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 172630694
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 154736081
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (CID 175649256) is N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCC2(F)CCN(c3ccc(Cl)cn3)CC2)nc(C)n1.
What is the InChIKey of N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is SKDOHAZTFCOWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN5/c1-12-9-15(23-13(2)22-12)21-11-17(19)5-7-24(8-6-17)16-4-3-14(18)10-20-16/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 349.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 175649256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).