(3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

C14H20N4O3 — CID 97422255

IUPAC(3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCOCCNC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C14H20N4O3/c1-20-6-5-15-12(19)14-9-18(7-11(14)8-21-10-14)13-16-3-2-4-17-13/h2-4,11H,5-10H2,1H3,(H,15,19)/t11-,14-/m1/s1
InChIKeyBSINRPSYVQTFKR-BXUZGUMPSA-N
MW292.34 g/mol
LogP-0.31
Rot. Bonds5

About (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 97422255) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
PubChem CID97422255
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
SMILESCOCCNC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C14H20N4O3/c1-20-6-5-15-12(19)14-9-18(7-11(14)8-21-10-14)13-16-3-2-4-17-13/h2-4,11H,5-10H2,1H3,(H,15,19)/t11-,14-/m1/s1
InChIKeyBSINRPSYVQTFKR-BXUZGUMPSA-N
XLogP-0.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide (CID 97422255) is (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is COCCNC(=O)[C@]12COC[C@H]1CN(c1ncccn1)C2.
What is the InChIKey of (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is BSINRPSYVQTFKR-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-20-6-5-15-12(19)14-9-18(7-11(14)8-21-10-14)13-16-3-2-4-17-13/h2-4,11H,5-10H2,1H3,(H,15,19)/t11-,14-/m1/s1.
What are the key properties of (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-(2-methoxyethyl)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 97422255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).