5-(1H-pyrrol-2-yl)pyrimidine

C8H7N3 — CID 57325263

IUPAC5-(1H-pyrrol-2-yl)pyrimidine
SMILESc1c[nH]c(-c2cncnc2)c1
InChIInChI=1S/C8H7N3/c1-2-8(11-3-1)7-4-9-6-10-5-7/h1-6,11H
InChIKeyMHHCQOHRMSGYSG-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.47
Rot. Bonds1

About 5-(1H-pyrrol-2-yl)pyrimidine

5-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 57325263) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(1H-pyrrol-2-yl)pyrimidine
PubChem CID57325263
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name5-(1H-pyrrol-2-yl)pyrimidine
SMILESc1c[nH]c(-c2cncnc2)c1
InChIInChI=1S/C8H7N3/c1-2-8(11-3-1)7-4-9-6-10-5-7/h1-6,11H
InChIKeyMHHCQOHRMSGYSG-UHFFFAOYSA-N
XLogP1.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 5-(1H-pyrrol-2-yl)pyrimidine (CID 57325263) is 5-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 5-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 5-(1H-pyrrol-2-yl)pyrimidine is c1c[nH]c(-c2cncnc2)c1.
What is the InChIKey of 5-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is MHHCQOHRMSGYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-2-8(11-3-1)7-4-9-6-10-5-7/h1-6,11H.
What are the key properties of 5-(1H-pyrrol-2-yl)pyrimidine?
5-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 145.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 57325263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).