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

C7H7N3O3 — CID 174832264

IUPACcarbonic acid;5H-pyrrolo[3,2-d]pyrimidine
SMILESO=C(O)O.c1ncc2[nH]ccc2n1
InChIInChI=1S/C6H5N3.CH2O3/c1-2-8-6-3-7-4-9-5(1)6;2-1(3)4/h1-4,8H;(H2,2,3,4)
InChIKeyDHKAAHKCSRYWQR-UHFFFAOYSA-N
MW181.15 g/mol
LogP1.18
Rot. Bonds

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

carbonic acid;5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 174832264) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is carbonic acid;5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Namecarbonic acid;5H-pyrrolo[3,2-d]pyrimidine
PubChem CID174832264
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Namecarbonic acid;5H-pyrrolo[3,2-d]pyrimidine
SMILESO=C(O)O.c1ncc2[nH]ccc2n1
InChIInChI=1S/C6H5N3.CH2O3/c1-2-8-6-3-7-4-9-5(1)6;2-1(3)4/h1-4,8H;(H2,2,3,4)
InChIKeyDHKAAHKCSRYWQR-UHFFFAOYSA-N
XLogP1.18
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

azetidine;5H-pyrrolo[3,2-d]pyrimidine
CID 174391261
4-(1H-pyrrol-2-yl)pyrimidine-5-carboxylic acid
CID 83697515
5H-pyrrolo[3,2-d]pyrimidine-2-carbohydrazide
CID 171975339
(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
CID 97056961
CID 87584548
CID 87584548
pyrimidine-4,5-dicarboxylate
CID 19795578
3,4-dihydroxy-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)butanoic acid
CID 171877833
(Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine
CID 68803398
CID 175543320
CID 175543320
5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide
CID 155786251
N-methoxy-N-methyl-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 76847424
formaldehyde;bis(pteridine)
CID 174932722

Frequently Asked Questions

What is the IUPAC name of carbonic acid;5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of carbonic acid;5H-pyrrolo[3,2-d]pyrimidine (CID 174832264) is carbonic acid;5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for carbonic acid;5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for carbonic acid;5H-pyrrolo[3,2-d]pyrimidine is O=C(O)O.c1ncc2[nH]ccc2n1.
What is the InChIKey of carbonic acid;5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is DHKAAHKCSRYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.CH2O3/c1-2-8-6-3-7-4-9-5(1)6;2-1(3)4/h1-4,8H;(H2,2,3,4).
What are the key properties of carbonic acid;5H-pyrrolo[3,2-d]pyrimidine?
carbonic acid;5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 181.15 g/mol, XLogP of 1.18, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 174832264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).