1H-imidazole;pyrimidine

C7H8N4 — CID 18320386

IUPAC1H-imidazole;pyrimidine
SMILESc1c[nH]cn1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H4N2/c1-2-5-4-6-3-1;1-2-5-3-4-1/h1-4H;1-3H,(H,4,5)
InChIKeyKNDAOVHRTCJABP-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.89
Rot. Bonds

About 1H-imidazole;pyrimidine

1H-imidazole;pyrimidine (PubChem CID 18320386) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 1H-imidazole;pyrimidine.

Molecular Properties

Compound Name1H-imidazole;pyrimidine
PubChem CID18320386
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name1H-imidazole;pyrimidine
SMILESc1c[nH]cn1.c1cncnc1
InChIInChI=1S/C4H4N2.C3H4N2/c1-2-5-4-6-3-1;1-2-5-3-4-1/h1-4H;1-3H,(H,4,5)
InChIKeyKNDAOVHRTCJABP-UHFFFAOYSA-N
XLogP0.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;pyrimidine?
The IUPAC name of 1H-imidazole;pyrimidine (CID 18320386) is 1H-imidazole;pyrimidine.
What is the SMILES notation for 1H-imidazole;pyrimidine?
The canonical SMILES for 1H-imidazole;pyrimidine is c1c[nH]cn1.c1cncnc1.
What is the InChIKey of 1H-imidazole;pyrimidine?
The InChIKey is KNDAOVHRTCJABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C3H4N2/c1-2-5-4-6-3-1;1-2-5-3-4-1/h1-4H;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;pyrimidine?
1H-imidazole;pyrimidine has a molecular weight of 148.17 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;pyrimidine is sourced from PubChem (CID 18320386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).