4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine

C19H25FN6O — CID 155468926

IUPAC4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine
SMILES[H]/N=C/c1cc(C)c(C2CCN(C)CC2F)cc1Nc1cc(N)nc(OC)n1
InChIInChI=1S/C19H25FN6O/c1-11-6-12(9-21)16(23-18-8-17(22)24-19(25-18)27-3)7-14(11)13-4-5-26(2)10-15(13)20/h6-9,13,15,21H,4-5,10H2,1-3H3,(H3,22,23,24,25)/b21-9+
InChIKeyZWCSLXMZBZDBJY-ZVBGSRNCSA-N
MW372.45 g/mol
LogP2.87
Rot. Bonds5

About 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine

4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine (PubChem CID 155468926) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine
PubChem CID155468926
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine
SMILES[H]/N=C/c1cc(C)c(C2CCN(C)CC2F)cc1Nc1cc(N)nc(OC)n1
InChIInChI=1S/C19H25FN6O/c1-11-6-12(9-21)16(23-18-8-17(22)24-19(25-18)27-3)7-14(11)13-4-5-26(2)10-15(13)20/h6-9,13,15,21H,4-5,10H2,1-3H3,(H3,22,23,24,25)/b21-9+
InChIKeyZWCSLXMZBZDBJY-ZVBGSRNCSA-N
XLogP2.87
TPSA100.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methanimidoyl-4-methyl-5-piperidin-4-ylphenyl)-2-methoxy-6-morpholin-4-ylpyrimidin-4-amine;methanol
CID 145234182
N-[5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-ethoxy-6-morpholin-4-ylpyrimidin-4-amine
CID 145234342
N-[6-[6-(3-fluoro-1-methylpiperidin-4-yl)-5-methylindazol-1-yl]-2-methoxypyrimidin-4-yl]acetamide
CID 145234432
N-[2-methanimidoyl-4-methyl-5-[1-(oxolan-3-yl)piperidin-4-yl]phenyl]-2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-amine
CID 135273877
1-[6-[2-methanimidoyl-4-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]anilino]-2-methoxypyrimidin-4-yl]-3-methylazetidin-3-ol
CID 145234188
6-[6-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-5-methylindazol-1-yl]-2-methoxypyrimidine-4-carboxylic acid
CID 175155646
1-[6-[5-(6-fluoro-1-methyl-2,3,4,7-tetrahydroazepin-4-yl)-2-methanimidoyl-4-methylanilino]-2-methylpyrimidin-4-yl]-3-(hydroxymethyl)piperidin-4-one
CID 155469044
1-[6-[5-[(1R)-4-[aminomethyl(methyl)amino]-1-fluorobutyl]-2-methanimidoyl-4-methylanilino]-2-methoxypyrimidin-4-yl]azetidin-3-ol
CID 145234221
tert-butyl 4-[5-[[6-[2-(hydroxymethyl)-3-methylmorpholin-4-yl]-2-methoxypyrimidin-4-yl]amino]-4-methanimidoyl-2-methylphenyl]piperidine-1-carboxylate
CID 135278565
1-[5-[[6-(3-hydroxyazetidin-1-yl)-2-methylpyrimidin-4-yl]amino]-4-methanimidoyl-2-methylphenyl]piperidin-4-ol
CID 155469076
N-[2-methanimidoyl-4-methyl-5-[2-methyl-1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 135278572
methyl 3-[6-(2-methanimidoyl-4-methyl-5-propan-2-yloxyanilino)-2-methoxypyrimidin-4-yl]-3-azabicyclo[3.1.1]heptane-6-carboxylate
CID 135273532

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine?
The IUPAC name of 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine (CID 155468926) is 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine is [H]/N=C/c1cc(C)c(C2CCN(C)CC2F)cc1Nc1cc(N)nc(OC)n1.
What is the InChIKey of 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine?
The InChIKey is ZWCSLXMZBZDBJY-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-11-6-12(9-21)16(23-18-8-17(22)24-19(25-18)27-3)7-14(11)13-4-5-26(2)10-15(13)20/h6-9,13,15,21H,4-5,10H2,1-3H3,(H3,22,23,24,25)/b21-9+.
What are the key properties of 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine?
4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine has a molecular weight of 372.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(3-fluoro-1-methylpiperidin-4-yl)-2-methanimidoyl-4-methylphenyl]-2-methoxypyrimidine-4,6-diamine is sourced from PubChem (CID 155468926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).