5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine

C16H18ClN3O — CID 80846532

IUPAC5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
SMILESC/C=C/c1ccccc1Oc1nc(NCCC)ncc1Cl
InChIInChI=1S/C16H18ClN3O/c1-3-7-12-8-5-6-9-14(12)21-15-13(17)11-19-16(20-15)18-10-4-2/h3,5-9,11H,4,10H2,1-2H3,(H,18,19,20)/b7-3+
InChIKeyMOWPCNVCJFHNIG-XVNBXDOJSA-N
MW303.79 g/mol
LogP4.78
Rot. Bonds6

About 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine

5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine (PubChem CID 80846532) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
PubChem CID80846532
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine
SMILESC/C=C/c1ccccc1Oc1nc(NCCC)ncc1Cl
InChIInChI=1S/C16H18ClN3O/c1-3-7-12-8-5-6-9-14(12)21-15-13(17)11-19-16(20-15)18-10-4-2/h3,5-9,11H,4,10H2,1-2H3,(H,18,19,20)/b7-3+
InChIKeyMOWPCNVCJFHNIG-XVNBXDOJSA-N
XLogP4.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-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

[5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-yl]hydrazine
CID 80912130
5-chloro-4-(2-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80869484
5-chloro-N-propyl-4-(2,4,5-trichlorophenoxy)pyrimidin-2-amine
CID 80866668
5-chloro-4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881200
5-chloro-4-(4-ethoxyphenoxy)-N-propylpyrimidin-2-amine
CID 80865166
5-chloro-4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80863154
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
5-chloro-N-ethyl-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869054
4-(2-bromo-4-methylphenoxy)-5-chloro-N-propylpyrimidin-2-amine
CID 80860694
[3-[5-chloro-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80873058
2-[5-chloro-2-(ethylamino)pyrimidin-4-yl]oxybenzamide
CID 80862531
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine (CID 80846532) is 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine is C/C=C/c1ccccc1Oc1nc(NCCC)ncc1Cl.
What is the InChIKey of 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine?
The InChIKey is MOWPCNVCJFHNIG-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-7-12-8-5-6-9-14(12)21-15-13(17)11-19-16(20-15)18-10-4-2/h3,5-9,11H,4,10H2,1-2H3,(H,18,19,20)/b7-3+.
What are the key properties of 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine?
5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine has a molecular weight of 303.79 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-[(E)-prop-1-enyl]phenoxy]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80846532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).