4-imidazol-1-yl-6-propan-2-ylpyrimidine

C10H12N4 — CID 63811489

IUPAC4-imidazol-1-yl-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(-n2ccnc2)ncn1
InChIInChI=1S/C10H12N4/c1-8(2)9-5-10(13-6-12-9)14-4-3-11-7-14/h3-8H,1-2H3
InChIKeyNTYOLOUGPIMQQG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.79
Rot. Bonds2

About 4-imidazol-1-yl-6-propan-2-ylpyrimidine

4-imidazol-1-yl-6-propan-2-ylpyrimidine (PubChem CID 63811489) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-propan-2-ylpyrimidine
PubChem CID63811489
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-imidazol-1-yl-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(-n2ccnc2)ncn1
InChIInChI=1S/C10H12N4/c1-8(2)9-5-10(13-6-12-9)14-4-3-11-7-14/h3-8H,1-2H3
InChIKeyNTYOLOUGPIMQQG-UHFFFAOYSA-N
XLogP1.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-propan-2-ylpyrimidine?
The IUPAC name of 4-imidazol-1-yl-6-propan-2-ylpyrimidine (CID 63811489) is 4-imidazol-1-yl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-imidazol-1-yl-6-propan-2-ylpyrimidine is CC(C)c1cc(-n2ccnc2)ncn1.
What is the InChIKey of 4-imidazol-1-yl-6-propan-2-ylpyrimidine?
The InChIKey is NTYOLOUGPIMQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-8(2)9-5-10(13-6-12-9)14-4-3-11-7-14/h3-8H,1-2H3.
What are the key properties of 4-imidazol-1-yl-6-propan-2-ylpyrimidine?
4-imidazol-1-yl-6-propan-2-ylpyrimidine has a molecular weight of 188.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 63811489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).