2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine

C16H13N3 — CID 175810946

IUPAC2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine
SMILES[2H]C([2H])([2H])c1ccnc(-c2ncccc2-c2ccccc2)n1
InChIInChI=1S/C16H13N3/c1-12-9-11-18-16(19-12)15-14(8-5-10-17-15)13-6-3-2-4-7-13/h2-11H,1H3/i1D3
InChIKeyWRTWOWQAMNKZLL-FIBGUPNXSA-N
MW250.32 g/mol
LogP3.51
Rot. Bonds3

About 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine

2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine (PubChem CID 175810946) has the molecular formula C16H13N3 and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine
PubChem CID175810946
Molecular FormulaC16H13N3
Molecular Weight250.32 g/mol
Exact Mass250.13
IUPAC Name2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine
SMILES[2H]C([2H])([2H])c1ccnc(-c2ncccc2-c2ccccc2)n1
InChIInChI=1S/C16H13N3/c1-12-9-11-18-16(19-12)15-14(8-5-10-17-15)13-6-3-2-4-7-13/h2-11H,1H3/i1D3
InChIKeyWRTWOWQAMNKZLL-FIBGUPNXSA-N
XLogP3.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine?
The IUPAC name of 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine (CID 175810946) is 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine.
What is the SMILES notation for 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine?
The canonical SMILES for 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine is [2H]C([2H])([2H])c1ccnc(-c2ncccc2-c2ccccc2)n1.
What is the InChIKey of 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine?
The InChIKey is WRTWOWQAMNKZLL-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H13N3/c1-12-9-11-18-16(19-12)15-14(8-5-10-17-15)13-6-3-2-4-7-13/h2-11H,1H3/i1D3.
What are the key properties of 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine?
2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine has a molecular weight of 250.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine is sourced from PubChem (CID 175810946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).