1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine

C6H9N3 — CID 21083968

IUPAC1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine
SMILESC1=CNC2NC=CN2C1
InChIInChI=1S/C6H9N3/c1-2-7-6-8-3-5-9(6)4-1/h1-3,5-8H,4H2
InChIKeyMFAWHLYCBDWDPQ-UHFFFAOYSA-N
MW123.16 g/mol
LogP-0.24
Rot. Bonds

About 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine

1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 21083968) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID21083968
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine
SMILESC1=CNC2NC=CN2C1
InChIInChI=1S/C6H9N3/c1-2-7-6-8-3-5-9(6)4-1/h1-3,5-8H,4H2
InChIKeyMFAWHLYCBDWDPQ-UHFFFAOYSA-N
XLogP-0.24
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydropyrimidine
CID 5231957
2-Aminotetrahydropyrimidine
CID 5246742
1,5-Diazabicyclo[4.3.0]non-3-ene
CID 19424595
1,5-Diazabicyclo[4.3.0]nonene
CID 21924057
Dimethyltetrahydropyrimidin
CID 22257007
Methyltetrahydropyrimidinamin
CID 129646687
Tetrahydropyrimidinium chloride
CID 129800026
Sulfanyl tetrahydropyrimidine
CID 149433373
3-(fluoromethyl)-2,6-dihydro-1H-pyrimidine
CID 140970490
3-fluoro-2,4-dihydro-1H-pyrimidine
CID 174447001
3-Cyano-2,6-dihydropyrimidine
CID 90772434
Tetrahydropyrimidinium iodide
CID 129781611

Frequently Asked Questions

What is the IUPAC name of 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine (CID 21083968) is 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine is C1=CNC2NC=CN2C1.
What is the InChIKey of 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is MFAWHLYCBDWDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-7-6-8-3-5-9(6)4-1/h1-3,5-8H,4H2.
What are the key properties of 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine?
1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 123.16 g/mol, XLogP of -0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8,8a-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 21083968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).