(3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H16FN5O — CID 146074837

IUPAC(3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(c3ncccn3)CC2)c(F)c1
InChIInChI=1S/C15H16FN5O/c1-11-9-12(16)13(19-10-11)14(22)20-5-7-21(8-6-20)15-17-3-2-4-18-15/h2-4,9-10H,5-8H2,1H3
InChIKeySOMLQHVTMBDEPS-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.28
Rot. Bonds2

About (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 146074837) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID146074837
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name(3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCN(c3ncccn3)CC2)c(F)c1
InChIInChI=1S/C15H16FN5O/c1-11-9-12(16)13(19-10-11)14(22)20-5-7-21(8-6-20)15-17-3-2-4-18-15/h2-4,9-10H,5-8H2,1H3
InChIKeySOMLQHVTMBDEPS-UHFFFAOYSA-N
XLogP1.28
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110854966
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
(5-methyl-1H-indazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78858969
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 17464213
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 146074837) is (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cnc(C(=O)N2CCN(c3ncccn3)CC2)c(F)c1.
What is the InChIKey of (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is SOMLQHVTMBDEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-11-9-12(16)13(19-10-11)14(22)20-5-7-21(8-6-20)15-17-3-2-4-18-15/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 301.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methyl-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 146074837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).