2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine

C16H17N3O — CID 80965576

IUPAC2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
SMILESNc1cc(OC/C=C/c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C16H17N3O/c17-14-11-15(19-16(18-14)13-8-9-13)20-10-4-7-12-5-2-1-3-6-12/h1-7,11,13H,8-10H2,(H2,17,18,19)/b7-4+
InChIKeyMZHLJAUWOZWCDR-QPJJXVBHSA-N
MW267.33 g/mol
LogP3.03
Rot. Bonds5

About 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine

2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine (PubChem CID 80965576) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
PubChem CID80965576
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
SMILESNc1cc(OC/C=C/c2ccccc2)nc(C2CC2)n1
InChIInChI=1S/C16H17N3O/c17-14-11-15(19-16(18-14)13-8-9-13)20-10-4-7-12-5-2-1-3-6-12/h1-7,11,13H,8-10H2,(H2,17,18,19)/b7-4+
InChIKeyMZHLJAUWOZWCDR-QPJJXVBHSA-N
XLogP3.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-yl]hydrazine
CID 80969534
2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 80965669
4-hydrazinyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80911860
2-cyclopropyl-6-(2-cyclopropylethoxy)pyrimidin-4-amine
CID 106207497
2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
CID 116797758
[6-[(E)-3-phenylprop-2-enoxy]-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969533
2-cyclopropyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80966516
2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80965952
2-cyclopropyl-6-(4-fluorophenoxy)pyrimidin-4-amine
CID 80966558
5-bromo-4-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80867240
3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine
CID 114999587
2-cyclopropyl-6-(1-methoxypropan-2-yloxy)pyrimidin-4-amine
CID 80963189

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine (CID 80965576) is 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine is Nc1cc(OC/C=C/c2ccccc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine?
The InChIKey is MZHLJAUWOZWCDR-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H17N3O/c17-14-11-15(19-16(18-14)13-8-9-13)20-10-4-7-12-5-2-1-3-6-12/h1-7,11,13H,8-10H2,(H2,17,18,19)/b7-4+.
What are the key properties of 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine?
2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine is sourced from PubChem (CID 80965576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).