N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

C24H28FN5O — CID 56563974

IUPACN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccc(CN2CCC(Nc3nc(-c4ccccn4)nc(C)c3C)CC2)cc1F
InChIInChI=1S/C24H28FN5O/c1-16-17(2)27-24(21-6-4-5-11-26-21)29-23(16)28-19-9-12-30(13-10-19)15-18-7-8-22(31-3)20(25)14-18/h4-8,11,14,19H,9-10,12-13,15H2,1-3H3,(H,27,28,29)
InChIKeyNGHVSJJOTNOBMA-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.38
Rot. Bonds6

About N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56563974) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56563974
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccc(CN2CCC(Nc3nc(-c4ccccn4)nc(C)c3C)CC2)cc1F
InChIInChI=1S/C24H28FN5O/c1-16-17(2)27-24(21-6-4-5-11-26-21)29-23(16)28-19-9-12-30(13-10-19)15-18-7-8-22(31-3)20(25)14-18/h4-8,11,14,19H,9-10,12-13,15H2,1-3H3,(H,27,28,29)
InChIKeyNGHVSJJOTNOBMA-UHFFFAOYSA-N
XLogP4.38
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 55829581
4-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]amino]quinoline-2-carbonitrile
CID 133319319
1-[(3-fluoro-4-methoxyphenyl)methyl]-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 55829837
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133294514
2-benzamido-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55959028
2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56561297
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,3-dimethylbenzamide
CID 55957612
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
4-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 56564094
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 56563974) is N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is COc1ccc(CN2CCC(Nc3nc(-c4ccccn4)nc(C)c3C)CC2)cc1F.
What is the InChIKey of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is NGHVSJJOTNOBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-16-17(2)27-24(21-6-4-5-11-26-21)29-23(16)28-19-9-12-30(13-10-19)15-18-7-8-22(31-3)20(25)14-18/h4-8,11,14,19H,9-10,12-13,15H2,1-3H3,(H,27,28,29).
What are the key properties of N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 421.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56563974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).