6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine

C13H13N3O — CID 80860267

IUPAC6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
SMILESC/C=C/c1ccccc1Oc1cc(N)ncn1
InChIInChI=1S/C13H13N3O/c1-2-5-10-6-3-4-7-11(10)17-13-8-12(14)15-9-16-13/h2-9H,1H3,(H2,14,15,16)/b5-2+
InChIKeyQBGVXZDNYCUTIU-GORDUTHDSA-N
MW227.27 g/mol
LogP2.88
Rot. Bonds3

About 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine

6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine (PubChem CID 80860267) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
PubChem CID80860267
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
SMILESC/C=C/c1ccccc1Oc1cc(N)ncn1
InChIInChI=1S/C13H13N3O/c1-2-5-10-6-3-4-7-11(10)17-13-8-12(14)15-9-16-13/h2-9H,1H3,(H2,14,15,16)/b5-2+
InChIKeyQBGVXZDNYCUTIU-GORDUTHDSA-N
XLogP2.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80880691
6-(2-bromophenoxy)pyrimidin-4-amine
CID 80860684
6-(2-chlorophenoxy)pyrimidin-4-amine
CID 80863719
2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
CID 55080893
4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine
CID 80860093
2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
CID 76940175
[6-(2-prop-1-enylphenoxy)-3-pyridinyl]methanamine
CID 76938461
N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
CID 80860701
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915
N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 76938437
6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine
CID 80866737
2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80957766

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The IUPAC name of 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine (CID 80860267) is 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The canonical SMILES for 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine is C/C=C/c1ccccc1Oc1cc(N)ncn1.
What is the InChIKey of 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The InChIKey is QBGVXZDNYCUTIU-GORDUTHDSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-5-10-6-3-4-7-11(10)17-13-8-12(14)15-9-16-13/h2-9H,1H3,(H2,14,15,16)/b5-2+.
What are the key properties of 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine has a molecular weight of 227.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 80860267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).