2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol

C14H17ClN4O — CID 133445099

IUPAC2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol
SMILESCN(C)c1ccnc(NC(CO)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4O/c1-19(2)13-7-8-16-14(18-13)17-12(9-20)10-3-5-11(15)6-4-10/h3-8,12,20H,9H2,1-2H3,(H,16,17,18)
InChIKeyHRECSXKSIXIFFQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.34
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol

2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol (PubChem CID 133445099) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol
PubChem CID133445099
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol
SMILESCN(C)c1ccnc(NC(CO)c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H17ClN4O/c1-19(2)13-7-8-16-14(18-13)17-12(9-20)10-3-5-11(15)6-4-10/h3-8,12,20H,9H2,1-2H3,(H,16,17,18)
InChIKeyHRECSXKSIXIFFQ-UHFFFAOYSA-N
XLogP2.34
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol (CID 133445099) is 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol is CN(C)c1ccnc(NC(CO)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol?
The InChIKey is HRECSXKSIXIFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-19(2)13-7-8-16-14(18-13)17-12(9-20)10-3-5-11(15)6-4-10/h3-8,12,20H,9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol?
2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol has a molecular weight of 292.77 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[[4-(dimethylamino)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 133445099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).