1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol

C14H15Cl2N3O — CID 133308213

IUPAC1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol
SMILESCc1cc(C)nc(NCC(O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H15Cl2N3O/c1-8-3-9(2)19-14(18-8)17-7-13(20)10-4-11(15)6-12(16)5-10/h3-6,13,20H,7H2,1-2H3,(H,17,18,19)
InChIKeyODFMNSRDYALQFT-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.55
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol

1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol (PubChem CID 133308213) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol
PubChem CID133308213
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol
SMILESCc1cc(C)nc(NCC(O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H15Cl2N3O/c1-8-3-9(2)19-14(18-8)17-7-13(20)10-4-11(15)6-12(16)5-10/h3-6,13,20H,7H2,1-2H3,(H,17,18,19)
InChIKeyODFMNSRDYALQFT-UHFFFAOYSA-N
XLogP3.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol (CID 133308213) is 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol is Cc1cc(C)nc(NCC(O)c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol?
The InChIKey is ODFMNSRDYALQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-8-3-9(2)19-14(18-8)17-7-13(20)10-4-11(15)6-12(16)5-10/h3-6,13,20H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol?
1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol has a molecular weight of 312.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 133308213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).