2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine

C6H9N3 — CID 158570723

IUPAC2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine
SMILESc1cc2c([nH]1)NCNC2
InChIInChI=1S/C6H9N3/c1-2-8-6-5(1)3-7-4-9-6/h1-2,7-9H,3-4H2
InChIKeyUQWCHGVIOGOCGL-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.49
Rot. Bonds

About 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine

2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine (PubChem CID 158570723) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine
PubChem CID158570723
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine
SMILESc1cc2c([nH]1)NCNC2
InChIInChI=1S/C6H9N3/c1-2-8-6-5(1)3-7-4-9-6/h1-2,7-9H,3-4H2
InChIKeyUQWCHGVIOGOCGL-UHFFFAOYSA-N
XLogP0.49
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 91995475
N-methyl-1,2,3,7-tetrahydropyrrolo[2,3-d]pyrimidin-4-imine
CID 137021593
3-(2,3-dihydro-1H-isoindol-5-yl)-1H-pyrimidine-2,4-dione
CID 177239178
formaldehyde;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 143247723
4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]azepin-8-one
CID 82417488
1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azepine
CID 58443090
(5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine
CID 177251607
2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one
CID 57265088
2,3-dihydro-1H-isoindole;ethane;tetrakis(1H-indole)
CID 159287838
benzene;2,3-dihydro-1H-isoindole
CID 161490745
azane;2,3-dihydro-1H-isoindole
CID 23342931
2,3-dihydro-1H-isoindole;molecular hydrogen
CID 144672550

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine (CID 158570723) is 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine is c1cc2c([nH]1)NCNC2.
What is the InChIKey of 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is UQWCHGVIOGOCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-2-8-6-5(1)3-7-4-9-6/h1-2,7-9H,3-4H2.
What are the key properties of 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine?
2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 123.16 g/mol, XLogP of 0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 158570723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).