5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one

C19H24ClFN6O — CID 146484081

IUPAC5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCN1CCN(C2CCN(c3nc(-c4ccnc(F)c4)[nH]c(=O)c3Cl)CC2)CC1
InChIInChI=1S/C19H24ClFN6O/c1-25-8-10-26(11-9-25)14-3-6-27(7-4-14)18-16(20)19(28)24-17(23-18)13-2-5-22-15(21)12-13/h2,5,12,14H,3-4,6-11H2,1H3,(H,23,24,28)
InChIKeyPRAZYMZUGTWCDE-UHFFFAOYSA-N
MW406.89 g/mol
LogP1.84
Rot. Bonds3

About 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one

5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 146484081) has the molecular formula C19H24ClFN6O and a molecular weight of 406.89 g/mol. Its IUPAC name is 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID146484081
Molecular FormulaC19H24ClFN6O
Molecular Weight406.89 g/mol
Exact Mass406.17
IUPAC Name5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCN1CCN(C2CCN(c3nc(-c4ccnc(F)c4)[nH]c(=O)c3Cl)CC2)CC1
InChIInChI=1S/C19H24ClFN6O/c1-25-8-10-26(11-9-25)14-3-6-27(7-4-14)18-16(20)19(28)24-17(23-18)13-2-5-22-15(21)12-13/h2,5,12,14H,3-4,6-11H2,1H3,(H,23,24,28)
InChIKeyPRAZYMZUGTWCDE-UHFFFAOYSA-N
XLogP1.84
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2-fluoro-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137291629
5-chloro-4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 137291705
5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(3-methylbutanoyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 158558920
1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 146484077
4-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-5-chloro-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 137291490
(3S)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 137291413
5-chloro-2-(2-fluoro-4-pyridinyl)-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 155217225
5-chloro-4-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 137291595
4-[(3S)-3-tert-butylpiperazin-1-yl]-5-chloro-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 137291591
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-chloro-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 146484104
4-(2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl)-5-chloro-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 137291706
(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 137291412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 146484081) is 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one is CN1CCN(C2CCN(c3nc(-c4ccnc(F)c4)[nH]c(=O)c3Cl)CC2)CC1.
What is the InChIKey of 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is PRAZYMZUGTWCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN6O/c1-25-8-10-26(11-9-25)14-3-6-27(7-4-14)18-16(20)19(28)24-17(23-18)13-2-5-22-15(21)12-13/h2,5,12,14H,3-4,6-11H2,1H3,(H,23,24,28).
What are the key properties of 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 406.89 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluoro-4-pyridinyl)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 146484081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).