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2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol

C18H21N5O — CID 118443767

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol
SMILESCn1cc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cn1
InChIInChI=1S/C18H21N5O/c1-17(2,3)18(24,15-9-19-12-20-10-15)16-6-5-13(7-21-16)14-8-22-23(4)11-14/h5-12,24H,1-4H3
InChIKeyUOVISTICNQTJBT-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.55
Rot. Bonds3

About 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol

2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 118443767) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol
PubChem CID118443767
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol
SMILESCn1cc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cn1
InChIInChI=1S/C18H21N5O/c1-17(2,3)18(24,15-9-19-12-20-10-15)16-6-5-13(7-21-16)14-8-22-23(4)11-14/h5-12,24H,1-4H3
InChIKeyUOVISTICNQTJBT-UHFFFAOYSA-N
XLogP2.55
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol (CID 118443767) is 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol is Cn1cc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cn1.
What is the InChIKey of 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is UOVISTICNQTJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-17(2,3)18(24,15-9-19-12-20-10-15)16-6-5-13(7-21-16)14-8-22-23(4)11-14/h5-12,24H,1-4H3.
What are the key properties of 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol?
2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 323.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 118443767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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