4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide

C10H11ClN4O3 — CID 171899414

IUPAC4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1c[nH]c2c(Cl)ncnc12
InChIInChI=1S/C10H11ClN4O3/c11-10-8-7(14-3-15-10)4(2-13-8)9(18)5(16)1-6(12)17/h2-3,5,9,13,16,18H,1H2,(H2,12,17)
InChIKeyFMYFVVLOPPPLJP-UHFFFAOYSA-N
MW270.68 g/mol
LogP-0.12
Rot. Bonds4

About 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide

4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide (PubChem CID 171899414) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide
PubChem CID171899414
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC Name4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1c[nH]c2c(Cl)ncnc12
InChIInChI=1S/C10H11ClN4O3/c11-10-8-7(14-3-15-10)4(2-13-8)9(18)5(16)1-6(12)17/h2-3,5,9,13,16,18H,1H2,(H2,12,17)
InChIKeyFMYFVVLOPPPLJP-UHFFFAOYSA-N
XLogP-0.12
TPSA125.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanoate
CID 171897622
N-[4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutyl]acetamide
CID 171883289
4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide
CID 171898858
4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide
CID 171900326
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-(2-amino-4-chloropyrimidin-5-yl)-3,4-dihydroxybutanoic acid
CID 171877478
ethyl 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)but-3-ynoate
CID 170471473
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
4-(2-bromo-4-chlorophenyl)-3,4-dihydroxybutanamide
CID 171900253
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
CID 171900236
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide (CID 171899414) is 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1c[nH]c2c(Cl)ncnc12.
What is the InChIKey of 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide?
The InChIKey is FMYFVVLOPPPLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c11-10-8-7(14-3-15-10)4(2-13-8)9(18)5(16)1-6(12)17/h2-3,5,9,13,16,18H,1H2,(H2,12,17).
What are the key properties of 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide?
4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide has a molecular weight of 270.68 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).