6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione

C20H18ClFN4O3 — CID 142691153

IUPAC6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(F)c2)n1
InChIInChI=1S/C20H18ClFN4O3/c1-10(2)16-17(18(27)14-8-13(21)6-11(3)24-14)26(20(29)25-19(16)28)9-12-4-5-23-15(22)7-12/h4-8,10H,9H2,1-3H3,(H,25,28,29)
InChIKeyMGQMQHUFPSLBGI-UHFFFAOYSA-N
MW416.84 g/mol
LogP2.83
Rot. Bonds5

About 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione

6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 142691153) has the molecular formula C20H18ClFN4O3 and a molecular weight of 416.84 g/mol. Its IUPAC name is 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID142691153
Molecular FormulaC20H18ClFN4O3
Molecular Weight416.84 g/mol
Exact Mass416.11
IUPAC Name6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(F)c2)n1
InChIInChI=1S/C20H18ClFN4O3/c1-10(2)16-17(18(27)14-8-13(21)6-11(3)24-14)26(20(29)25-19(16)28)9-12-4-5-23-15(22)7-12/h4-8,10H,9H2,1-3H3,(H,25,28,29)
InChIKeyMGQMQHUFPSLBGI-UHFFFAOYSA-N
XLogP2.83
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione (CID 142691153) is 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(F)c2)n1.
What is the InChIKey of 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is MGQMQHUFPSLBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3/c1-10(2)16-17(18(27)14-8-13(21)6-11(3)24-14)26(20(29)25-19(16)28)9-12-4-5-23-15(22)7-12/h4-8,10H,9H2,1-3H3,(H,25,28,29).
What are the key properties of 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione?
6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 416.84 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-6-methylpyridine-2-carbonyl)-1-[(2-fluoro-4-pyridinyl)methyl]-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 142691153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).