2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine

C13H13N3O2 — CID 11694423

IUPAC2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine
SMILESCOc1ncc(/C=C\c2ccncc2)c(OC)n1
InChIInChI=1S/C13H13N3O2/c1-17-12-11(9-15-13(16-12)18-2)4-3-10-5-7-14-8-6-10/h3-9H,1-2H3/b4-3-
InChIKeyRHYQKVHEJHKLAY-ARJAWSKDSA-N
MW243.27 g/mol
LogP2.06
Rot. Bonds4

About 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine

2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine (PubChem CID 11694423) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine
PubChem CID11694423
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine
SMILESCOc1ncc(/C=C\c2ccncc2)c(OC)n1
InChIInChI=1S/C13H13N3O2/c1-17-12-11(9-15-13(16-12)18-2)4-3-10-5-7-14-8-6-10/h3-9H,1-2H3/b4-3-
InChIKeyRHYQKVHEJHKLAY-ARJAWSKDSA-N
XLogP2.06
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine (CID 11694423) is 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine is COc1ncc(/C=C\c2ccncc2)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine?
The InChIKey is RHYQKVHEJHKLAY-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-17-12-11(9-15-13(16-12)18-2)4-3-10-5-7-14-8-6-10/h3-9H,1-2H3/b4-3-.
What are the key properties of 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine?
2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine has a molecular weight of 243.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine is sourced from PubChem (CID 11694423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).