2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol

C21H21N3O — CID 133477162

IUPAC2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol
SMILESOC(CNc1ccnc(C2CC2)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O/c25-19(14-23-20-12-13-22-21(24-20)18-10-11-18)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,18-19,25H,10-11,14H2,(H,22,23,24)
InChIKeyBHRBDJZFUWFKON-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.17
Rot. Bonds6

About 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol

2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol (PubChem CID 133477162) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol
PubChem CID133477162
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol
SMILESOC(CNc1ccnc(C2CC2)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21N3O/c25-19(14-23-20-12-13-22-21(24-20)18-10-11-18)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,18-19,25H,10-11,14H2,(H,22,23,24)
InChIKeyBHRBDJZFUWFKON-UHFFFAOYSA-N
XLogP4.17
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol (CID 133477162) is 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol is OC(CNc1ccnc(C2CC2)n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol?
The InChIKey is BHRBDJZFUWFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-19(14-23-20-12-13-22-21(24-20)18-10-11-18)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,18-19,25H,10-11,14H2,(H,22,23,24).
What are the key properties of 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol?
2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol has a molecular weight of 331.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 133477162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).