2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine

C15H12N4 — CID 176651996

IUPAC2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccnc(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H12N4/c1-11-9-18-14(10-17-11)13-7-8-16-15(19-13)12-5-3-2-4-6-12/h2-10H,1H3/i1D3
InChIKeyABXZMHGXEGDMRY-FIBGUPNXSA-N
MW251.31 g/mol
LogP2.91
Rot. Bonds3

About 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine

2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine (PubChem CID 176651996) has the molecular formula C15H12N4 and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine
PubChem CID176651996
Molecular FormulaC15H12N4
Molecular Weight251.31 g/mol
Exact Mass251.13
IUPAC Name2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine
SMILES[2H]C([2H])([2H])c1cnc(-c2ccnc(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H12N4/c1-11-9-18-14(10-17-11)13-7-8-16-15(19-13)12-5-3-2-4-6-12/h2-10H,1H3/i1D3
InChIKeyABXZMHGXEGDMRY-FIBGUPNXSA-N
XLogP2.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenylpyrimidine;yttrium
CID 59738567
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
2,4-diphenylpyrimidine;triphenylene
CID 175536318
4-(2,6-dimethylphenyl)-2-phenylpyrimidine
CID 151282962
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-(3-phenyl-2-pyridinyl)-4-(trideuteriomethyl)pyrimidine
CID 175810946
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
4-(1H-imidazol-5-yl)-2-phenylpyrimidine
CID 90707377
N-methyl-5-(2-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 59177681
2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine
CID 72697527
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
CID 16637811

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine?
The IUPAC name of 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine (CID 176651996) is 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine.
What is the SMILES notation for 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine?
The canonical SMILES for 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine is [2H]C([2H])([2H])c1cnc(-c2ccnc(-c3ccccc3)n2)cn1.
What is the InChIKey of 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine?
The InChIKey is ABXZMHGXEGDMRY-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H12N4/c1-11-9-18-14(10-17-11)13-7-8-16-15(19-13)12-5-3-2-4-6-12/h2-10H,1H3/i1D3.
What are the key properties of 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine?
2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine has a molecular weight of 251.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine is sourced from PubChem (CID 176651996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).