1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione

C9H13N3O2 — CID 159038205

IUPAC1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)N1C(=O)NC(=O)C2CC=NC21
InChIInChI=1S/C9H13N3O2/c1-5(2)12-7-6(3-4-10-7)8(13)11-9(12)14/h4-7H,3H2,1-2H3,(H,11,13,14)
InChIKeyRHNSNUTZPSPKHS-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.36
Rot. Bonds1

About 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione

1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 159038205) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID159038205
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)N1C(=O)NC(=O)C2CC=NC21
InChIInChI=1S/C9H13N3O2/c1-5(2)12-7-6(3-4-10-7)8(13)11-9(12)14/h4-7H,3H2,1-2H3,(H,11,13,14)
InChIKeyRHNSNUTZPSPKHS-UHFFFAOYSA-N
XLogP0.36
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 159038205) is 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione is CC(C)N1C(=O)NC(=O)C2CC=NC21.
What is the InChIKey of 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RHNSNUTZPSPKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)12-7-6(3-4-10-7)8(13)11-9(12)14/h4-7H,3H2,1-2H3,(H,11,13,14).
What are the key properties of 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione?
1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159038205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).