2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol

C15H19N3O — CID 65337926

IUPAC2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol
SMILESCC(Nc1cnc(-c2ccccc2)nc1)C(C)(C)O
InChIInChI=1S/C15H19N3O/c1-11(15(2,3)19)18-13-9-16-14(17-10-13)12-7-5-4-6-8-12/h4-11,18-19H,1-3H3
InChIKeyOUAVVKSDVKABNA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.71
Rot. Bonds4

About 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol

2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol (PubChem CID 65337926) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol
PubChem CID65337926
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol
SMILESCC(Nc1cnc(-c2ccccc2)nc1)C(C)(C)O
InChIInChI=1S/C15H19N3O/c1-11(15(2,3)19)18-13-9-16-14(17-10-13)12-7-5-4-6-8-12/h4-11,18-19H,1-3H3
InChIKeyOUAVVKSDVKABNA-UHFFFAOYSA-N
XLogP2.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol (CID 65337926) is 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol is CC(Nc1cnc(-c2ccccc2)nc1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol?
The InChIKey is OUAVVKSDVKABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(15(2,3)19)18-13-9-16-14(17-10-13)12-7-5-4-6-8-12/h4-11,18-19H,1-3H3.
What are the key properties of 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol?
2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol has a molecular weight of 257.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-phenylpyrimidin-5-yl)amino]butan-2-ol is sourced from PubChem (CID 65337926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).