2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine

C18H23FN6O — CID 170620820

IUPAC2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESC/N=C/c1cnc(Nc2ccnc(N3CCC(OC)C(F)C3)n2)cc1C
InChIInChI=1S/C18H23FN6O/c1-12-8-17(22-10-13(12)9-20-2)23-16-4-6-21-18(24-16)25-7-5-15(26-3)14(19)11-25/h4,6,8-10,14-15H,5,7,11H2,1-3H3,(H,21,22,23,24)/b20-9+
InChIKeyZPFURADHMHLTHX-AWQFTUOYSA-N
MW358.42 g/mol
LogP2.54
Rot. Bonds5

About 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine

2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 170620820) has the molecular formula C18H23FN6O and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID170620820
Molecular FormulaC18H23FN6O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESC/N=C/c1cnc(Nc2ccnc(N3CCC(OC)C(F)C3)n2)cc1C
InChIInChI=1S/C18H23FN6O/c1-12-8-17(22-10-13(12)9-20-2)23-16-4-6-21-18(24-16)25-7-5-15(26-3)14(19)11-25/h4,6,8-10,14-15H,5,7,11H2,1-3H3,(H,21,22,23,24)/b20-9+
InChIKeyZPFURADHMHLTHX-AWQFTUOYSA-N
XLogP2.54
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 118661748
(1R)-1-[6-[[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
CID 118661749
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-3-morpholin-4-yl-1-propan-2-ylpyrazolo[4,3-c]pyridin-6-amine
CID 134443076
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(6-methyl-1,6-diazaspiro[3.3]heptan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 166546641
CID 156802196
CID 156802196
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-(2,2,2-trifluoroethoxy)pyrido[4,3-b]indol-3-amine
CID 167440629
N-[(2R,3S)-1-[3-[[2-(3-fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-5-propan-2-ylisoquinolin-8-yl]-2-methylazetidin-3-yl]-N-methylethanesulfonamide
CID 170048998
N-[2-[(3R,4R)-3-azido-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183494
N-[2-[(3S,4R)-3-fluoro-4-methylsulfanylpiperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 118661693
N-[3-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-6-yl]prop-2-enamide
CID 166465879
N-[(1S,2R)-2-[3-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-8-[3-(methylsulfonylmethyl)azetidin-1-yl]isoquinolin-5-yl]cyclobutyl]prop-2-enamide
CID 166466004
1-[(2S)-2-[6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-[(2R,3S)-2-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-2,7-naphthyridin-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166465488

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine (CID 170620820) is 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine is C/N=C/c1cnc(Nc2ccnc(N3CCC(OC)C(F)C3)n2)cc1C.
What is the InChIKey of 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is ZPFURADHMHLTHX-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H23FN6O/c1-12-8-17(22-10-13(12)9-20-2)23-16-4-6-21-18(24-16)25-7-5-15(26-3)14(19)11-25/h4,6,8-10,14-15H,5,7,11H2,1-3H3,(H,21,22,23,24)/b20-9+.
What are the key properties of 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine?
2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 358.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxypiperidin-1-yl)-N-[4-methyl-5-(methyliminomethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 170620820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).