4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine

C15H17N3O2 — CID 99902154

IUPAC4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine
SMILESCCOc1cc(/C=C\c2ccc(OC)cc2)nc(N)n1
InChIInChI=1S/C15H17N3O2/c1-3-20-14-10-12(17-15(16)18-14)7-4-11-5-8-13(19-2)9-6-11/h4-10H,3H2,1-2H3,(H2,16,17,18)/b7-4-
InChIKeyLHXJVUYZEIRLQB-DAXSKMNVSA-N
MW271.32 g/mol
LogP2.64
Rot. Bonds5

About 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine

4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine (PubChem CID 99902154) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine
PubChem CID99902154
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine
SMILESCCOc1cc(/C=C\c2ccc(OC)cc2)nc(N)n1
InChIInChI=1S/C15H17N3O2/c1-3-20-14-10-12(17-15(16)18-14)7-4-11-5-8-13(19-2)9-6-11/h4-10H,3H2,1-2H3,(H2,16,17,18)/b7-4-
InChIKeyLHXJVUYZEIRLQB-DAXSKMNVSA-N
XLogP2.64
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine (CID 99902154) is 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine is CCOc1cc(/C=C\c2ccc(OC)cc2)nc(N)n1.
What is the InChIKey of 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine?
The InChIKey is LHXJVUYZEIRLQB-DAXSKMNVSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-14-10-12(17-15(16)18-14)7-4-11-5-8-13(19-2)9-6-11/h4-10H,3H2,1-2H3,(H2,16,17,18)/b7-4-.
What are the key properties of 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine?
4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine has a molecular weight of 271.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[(Z)-2-(4-methoxyphenyl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 99902154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).