2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine

C13H13N3O — CID 116797758

IUPAC2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
SMILESNc1ccnc(OC/C=C/c2ccccc2)n1
InChIInChI=1S/C13H13N3O/c14-12-8-9-15-13(16-12)17-10-4-7-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,15,16)/b7-4+
InChIKeyRCDQTKGZFJSOFK-QPJJXVBHSA-N
MW227.27 g/mol
LogP2.15
Rot. Bonds4

About 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine

2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine (PubChem CID 116797758) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
PubChem CID116797758
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
SMILESNc1ccnc(OC/C=C/c2ccccc2)n1
InChIInChI=1S/C13H13N3O/c14-12-8-9-15-13(16-12)17-10-4-7-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,15,16)/b7-4+
InChIKeyRCDQTKGZFJSOFK-QPJJXVBHSA-N
XLogP2.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
5-bromo-4-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80867240
5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole
CID 4287639
2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
CID 80965576
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80911860
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine
CID 114999587
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
3-nitro-5-[(E)-3-phenylprop-2-enoxy]aniline
CID 80865627
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine?
The IUPAC name of 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine (CID 116797758) is 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine is Nc1ccnc(OC/C=C/c2ccccc2)n1.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine?
The InChIKey is RCDQTKGZFJSOFK-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H13N3O/c14-12-8-9-15-13(16-12)17-10-4-7-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,15,16)/b7-4+.
What are the key properties of 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine?
2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine is sourced from PubChem (CID 116797758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).