4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide

C19H18ClN5O3 — CID 25067569

IUPAC4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C19H18ClN5O3/c1-25-17(24-15(10-18(25)26)14-5-7-21-11-23-14)6-8-22-19(27)13-4-3-12(20)9-16(13)28-2/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,27)
InChIKeyBFMQWOZRBANLBB-UHFFFAOYSA-N
MW399.84 g/mol
LogP1.87
Rot. Bonds6

About 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide

4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide (PubChem CID 25067569) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
PubChem CID25067569
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide
SMILESCOc1cc(Cl)ccc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C19H18ClN5O3/c1-25-17(24-15(10-18(25)26)14-5-7-21-11-23-14)6-8-22-19(27)13-4-3-12(20)9-16(13)28-2/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,27)
InChIKeyBFMQWOZRBANLBB-UHFFFAOYSA-N
XLogP1.87
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide (CID 25067569) is 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide is COc1cc(Cl)ccc1C(=O)NCCc1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
The InChIKey is BFMQWOZRBANLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-25-17(24-15(10-18(25)26)14-5-7-21-11-23-14)6-8-22-19(27)13-4-3-12(20)9-16(13)28-2/h3-5,7,9-11H,6,8H2,1-2H3,(H,22,27).
What are the key properties of 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide?
4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide has a molecular weight of 399.84 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-[2-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 25067569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).