1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol

C14H17N3O — CID 59517616

IUPAC1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C14H17N3O/c1-10(18)12-9-15-13(16-14(12)17(2)3)11-7-5-4-6-8-11/h4-10,18H,1-3H3
InChIKeyTUUWKLABOSFGFZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds3

About 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol

1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol (PubChem CID 59517616) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol
PubChem CID59517616
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol
SMILESCC(O)c1cnc(-c2ccccc2)nc1N(C)C
InChIInChI=1S/C14H17N3O/c1-10(18)12-9-15-13(16-14(12)17(2)3)11-7-5-4-6-8-11/h4-10,18H,1-3H3
InChIKeyTUUWKLABOSFGFZ-UHFFFAOYSA-N
XLogP2.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol?
The IUPAC name of 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol (CID 59517616) is 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol is CC(O)c1cnc(-c2ccccc2)nc1N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol?
The InChIKey is TUUWKLABOSFGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(18)12-9-15-13(16-14(12)17(2)3)11-7-5-4-6-8-11/h4-10,18H,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol?
1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol has a molecular weight of 243.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 59517616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).