pyrimidine;1H-pyrrole

C8H9N3 — CID 66594620

IUPACpyrimidine;1H-pyrrole
SMILESc1cc[nH]c1.c1cncnc1
InChIInChI=1S/C4H4N2.C4H5N/c1-2-5-4-6-3-1;1-2-4-5-3-1/h1-4H;1-5H
InChIKeyDDWJFSYHYPDQEL-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.49
Rot. Bonds

About pyrimidine;1H-pyrrole

pyrimidine;1H-pyrrole (PubChem CID 66594620) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is pyrimidine;1H-pyrrole.

Molecular Properties

Compound Namepyrimidine;1H-pyrrole
PubChem CID66594620
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Namepyrimidine;1H-pyrrole
SMILESc1cc[nH]c1.c1cncnc1
InChIInChI=1S/C4H4N2.C4H5N/c1-2-5-4-6-3-1;1-2-4-5-3-1/h1-4H;1-5H
InChIKeyDDWJFSYHYPDQEL-UHFFFAOYSA-N
XLogP1.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrimidine;1H-pyrrole?
The IUPAC name of pyrimidine;1H-pyrrole (CID 66594620) is pyrimidine;1H-pyrrole.
What is the SMILES notation for pyrimidine;1H-pyrrole?
The canonical SMILES for pyrimidine;1H-pyrrole is c1cc[nH]c1.c1cncnc1.
What is the InChIKey of pyrimidine;1H-pyrrole?
The InChIKey is DDWJFSYHYPDQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.C4H5N/c1-2-5-4-6-3-1;1-2-4-5-3-1/h1-4H;1-5H.
What are the key properties of pyrimidine;1H-pyrrole?
pyrimidine;1H-pyrrole has a molecular weight of 147.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine;1H-pyrrole is sourced from PubChem (CID 66594620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).