5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine

C16H20N6S — CID 56873927

IUPAC5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine
SMILESCCCSc1ncc(-c2nccn2Cc2cnn(CC)c2)cn1
InChIInChI=1S/C16H20N6S/c1-3-7-23-16-18-9-14(10-19-16)15-17-5-6-21(15)11-13-8-20-22(4-2)12-13/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyRSRKUNQBYJBIMH-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.11
Rot. Bonds7

About 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine

5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine (PubChem CID 56873927) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine.

Molecular Properties

Compound Name5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine
PubChem CID56873927
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC Name5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine
SMILESCCCSc1ncc(-c2nccn2Cc2cnn(CC)c2)cn1
InChIInChI=1S/C16H20N6S/c1-3-7-23-16-18-9-14(10-19-16)15-17-5-6-21(15)11-13-8-20-22(4-2)12-13/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyRSRKUNQBYJBIMH-UHFFFAOYSA-N
XLogP3.11
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine?
The IUPAC name of 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine (CID 56873927) is 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine.
What is the SMILES notation for 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine?
The canonical SMILES for 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine is CCCSc1ncc(-c2nccn2Cc2cnn(CC)c2)cn1.
What is the InChIKey of 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine?
The InChIKey is RSRKUNQBYJBIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-3-7-23-16-18-9-14(10-19-16)15-17-5-6-21(15)11-13-8-20-22(4-2)12-13/h5-6,8-10,12H,3-4,7,11H2,1-2H3.
What are the key properties of 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine?
5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine has a molecular weight of 328.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propylsulfanylpyrimidine is sourced from PubChem (CID 56873927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).