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

C17H21BrFN5 — CID 175649654

IUPACN-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ccc(Br)cn3)CC2)nc(C)n1
InChIInChI=1S/C17H21BrFN5/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)
InChIKeyNTXXFRBIMUXBRO-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.67
Rot. Bonds4

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

N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 175649654) has the molecular formula C17H21BrFN5 and a molecular weight of 394.29 g/mol. Its IUPAC name is N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID175649654
Molecular FormulaC17H21BrFN5
Molecular Weight394.29 g/mol
Exact Mass393.10
IUPAC NameN-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCC2(F)CCN(c3ccc(Br)cn3)CC2)nc(C)n1
InChIInChI=1S/C17H21BrFN5/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)
InChIKeyNTXXFRBIMUXBRO-UHFFFAOYSA-N
XLogP3.67
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

N-[[1-(5-chloro-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 175649256
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-bromo-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63464475
ethane;[4-fluoro-1-(5-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 172630694
1-(5-bromo-2-pyridinyl)-4-[(dimethylamino)methyl]piperidin-4-amine
CID 164854692
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridin-3-amine
CID 60922049

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine (CID 175649654) is N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCC2(F)CCN(c3ccc(Br)cn3)CC2)nc(C)n1.
What is the InChIKey of N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is NTXXFRBIMUXBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrFN5/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-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine?
N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 394.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-2-pyridinyl)-4-fluoropiperidin-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 175649654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).