azetidine;5H-pyrrolo[3,2-d]pyrimidine

C9H12N4 — CID 174391261

IUPACazetidine;5H-pyrrolo[3,2-d]pyrimidine
SMILESC1CNC1.c1ncc2[nH]ccc2n1
InChIInChI=1S/C6H5N3.C3H7N/c1-2-8-6-3-7-4-9-5(1)6;1-2-4-3-1/h1-4,8H;4H,1-3H2
InChIKeyCZHDCRYEODXWNF-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.94
Rot. Bonds

About azetidine;5H-pyrrolo[3,2-d]pyrimidine

azetidine;5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 174391261) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is azetidine;5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Nameazetidine;5H-pyrrolo[3,2-d]pyrimidine
PubChem CID174391261
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Nameazetidine;5H-pyrrolo[3,2-d]pyrimidine
SMILESC1CNC1.c1ncc2[nH]ccc2n1
InChIInChI=1S/C6H5N3.C3H7N/c1-2-8-6-3-7-4-9-5(1)6;1-2-4-3-1/h1-4,8H;4H,1-3H2
InChIKeyCZHDCRYEODXWNF-UHFFFAOYSA-N
XLogP0.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;5H-pyrrolo[3,2-d]pyrimidine
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piperazine;1H-pyrrolo[3,2-b]pyridine
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2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 54005564
CID 87584548
CID 87584548
CID 87410618
CID 87410618
1-(1H-pyrrolo[3,2-b]pyridin-6-yl)cyclopropan-1-amine
CID 55297717
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CID 159271837
4-(5H-pyrrolo[3,2-d]pyrimidin-2-ylamino)cyclohexan-1-ol
CID 170573052
6,7,8,9-tetrahydro-5H-pyrimido[4,5-c]azepine
CID 67414259
1H-benzimidazole;piperidine
CID 66784764
piperazine;7H-purine;pyridazine
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methylphosphane;1H-pyrrolo[3,2-b]pyridine
CID 142512475

Frequently Asked Questions

What is the IUPAC name of azetidine;5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of azetidine;5H-pyrrolo[3,2-d]pyrimidine (CID 174391261) is azetidine;5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for azetidine;5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for azetidine;5H-pyrrolo[3,2-d]pyrimidine is C1CNC1.c1ncc2[nH]ccc2n1.
What is the InChIKey of azetidine;5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is CZHDCRYEODXWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C3H7N/c1-2-8-6-3-7-4-9-5(1)6;1-2-4-3-1/h1-4,8H;4H,1-3H2.
What are the key properties of azetidine;5H-pyrrolo[3,2-d]pyrimidine?
azetidine;5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 174391261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).