2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol

C18H19N5O — CID 69184039

IUPAC2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1cc(-c2cccnc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H19N5O/c1-2-14(12-24)21-17-10-16(13-6-5-8-19-11-13)22-18(23-17)15-7-3-4-9-20-15/h3-11,14,24H,2,12H2,1H3,(H,21,22,23)
InChIKeyRKJGZCNTGBPHQL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.78
Rot. Bonds6

About 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol

2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 69184039) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID69184039
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1cc(-c2cccnc2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H19N5O/c1-2-14(12-24)21-17-10-16(13-6-5-8-19-11-13)22-18(23-17)15-7-3-4-9-20-15/h3-11,14,24H,2,12H2,1H3,(H,21,22,23)
InChIKeyRKJGZCNTGBPHQL-UHFFFAOYSA-N
XLogP2.78
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol (CID 69184039) is 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol is CCC(CO)Nc1cc(-c2cccnc2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is RKJGZCNTGBPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-14(12-24)21-17-10-16(13-6-5-8-19-11-13)22-18(23-17)15-7-3-4-9-20-15/h3-11,14,24H,2,12H2,1H3,(H,21,22,23).
What are the key properties of 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol?
2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 321.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 69184039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).