5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine

C16H13N3 — CID 154623465

IUPAC5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine
SMILES[2H]C([2H])([2H])c1ncc(-c2ccnc(-c3ccccc3)c2)cn1
InChIInChI=1S/C16H13N3/c1-12-18-10-15(11-19-12)14-7-8-17-16(9-14)13-5-3-2-4-6-13/h2-11H,1H3/i1D3
InChIKeySFHUPWKHUFVFKC-FIBGUPNXSA-N
MW250.32 g/mol
LogP3.51
Rot. Bonds3

About 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine

5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine (PubChem CID 154623465) has the molecular formula C16H13N3 and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine.

Molecular Properties

Compound Name5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine
PubChem CID154623465
Molecular FormulaC16H13N3
Molecular Weight250.32 g/mol
Exact Mass250.13
IUPAC Name5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine
SMILES[2H]C([2H])([2H])c1ncc(-c2ccnc(-c3ccccc3)c2)cn1
InChIInChI=1S/C16H13N3/c1-12-18-10-15(11-19-12)14-7-8-17-16(9-14)13-5-3-2-4-6-13/h2-11H,1H3/i1D3
InChIKeySFHUPWKHUFVFKC-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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Related Compounds

4-(4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 159742768
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
2-(2-phenyl-4-pyridinyl)pyrazine
CID 58421040
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
CID 88908907
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
4-(2-methylphenyl)-2-phenylpyridine
CID 58435073
2-[4-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 153457967

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine?
The IUPAC name of 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine (CID 154623465) is 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine.
What is the SMILES notation for 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine?
The canonical SMILES for 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine is [2H]C([2H])([2H])c1ncc(-c2ccnc(-c3ccccc3)c2)cn1.
What is the InChIKey of 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine?
The InChIKey is SFHUPWKHUFVFKC-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H13N3/c1-12-18-10-15(11-19-12)14-7-8-17-16(9-14)13-5-3-2-4-6-13/h2-11H,1H3/i1D3.
What are the key properties of 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine?
5-(2-phenyl-4-pyridinyl)-2-(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 5-(2-phenyl-4-pyridinyl)-2-(trideuteriomethyl)pyrimidine is sourced from PubChem (CID 154623465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).