6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine

C16H18Cl2N4O2 — CID 154114709

IUPAC6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)c(CC=CCCC)c(N)n1O
InChIInChI=1S/C16H18Cl2N4O2/c1-2-3-4-5-6-11-14(19)22(23)16(20)21-15(11)24-13-8-7-10(17)9-12(13)18/h4-5,7-9,20,23H,2-3,6,19H2,1H3/b5-4?,20-16+
InChIKeyPHNIEUGUFHLOEK-OZUUGHPTSA-N
MW369.25 g/mol
LogP4.18
Rot. Bonds6

About 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine

6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine (PubChem CID 154114709) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine
PubChem CID154114709
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine
SMILES[H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)c(CC=CCCC)c(N)n1O
InChIInChI=1S/C16H18Cl2N4O2/c1-2-3-4-5-6-11-14(19)22(23)16(20)21-15(11)24-13-8-7-10(17)9-12(13)18/h4-5,7-9,20,23H,2-3,6,19H2,1H3/b5-4?,20-16+
InChIKeyPHNIEUGUFHLOEK-OZUUGHPTSA-N
XLogP4.18
TPSA97.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine?
The IUPAC name of 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine (CID 154114709) is 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine is [H]/N=c1\nc(Oc2ccc(Cl)cc2Cl)c(CC=CCCC)c(N)n1O.
What is the InChIKey of 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine?
The InChIKey is PHNIEUGUFHLOEK-OZUUGHPTSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-2-3-4-5-6-11-14(19)22(23)16(20)21-15(11)24-13-8-7-10(17)9-12(13)18/h4-5,7-9,20,23H,2-3,6,19H2,1H3/b5-4?,20-16+.
What are the key properties of 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine?
6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine has a molecular weight of 369.25 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenoxy)-5-hex-2-enyl-3-hydroxy-2-iminopyrimidin-4-amine is sourced from PubChem (CID 154114709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).