1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

C22H24N4O2 — CID 129159916

IUPAC1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCCn1cc(-c2cnc(C)nc2OCC2CC2c2ccc(C)cn2)ccc1=O
InChIInChI=1S/C22H24N4O2/c1-4-26-12-16(6-8-21(26)27)19-11-23-15(3)25-22(19)28-13-17-9-18(17)20-7-5-14(2)10-24-20/h5-8,10-12,17-18H,4,9,13H2,1-3H3
InChIKeyJRVMUUOVASJAKM-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.52
Rot. Bonds6

About 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one

1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (PubChem CID 129159916) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
PubChem CID129159916
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
SMILESCCn1cc(-c2cnc(C)nc2OCC2CC2c2ccc(C)cn2)ccc1=O
InChIInChI=1S/C22H24N4O2/c1-4-26-12-16(6-8-21(26)27)19-11-23-15(3)25-22(19)28-13-17-9-18(17)20-7-5-14(2)10-24-20/h5-8,10-12,17-18H,4,9,13H2,1-3H3
InChIKeyJRVMUUOVASJAKM-UHFFFAOYSA-N
XLogP3.52
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one (CID 129159916) is 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is CCn1cc(-c2cnc(C)nc2OCC2CC2c2ccc(C)cn2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
The InChIKey is JRVMUUOVASJAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26-12-16(6-8-21(26)27)19-11-23-15(3)25-22(19)28-13-17-9-18(17)20-7-5-14(2)10-24-20/h5-8,10-12,17-18H,4,9,13H2,1-3H3.
What are the key properties of 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one?
1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one is sourced from PubChem (CID 129159916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).