[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

C18H22N4O3 — CID 138635656

IUPAC[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CC[C@@H]2OCC[C@@H]21
InChIInChI=1S/C18H22N4O3/c1-10-13(17(23)22-7-3-12-11(22)4-8-24-12)14-15(21-18(2)5-6-18)19-9-20-16(14)25-10/h9,11-12H,3-8H2,1-2H3,(H,19,20,21)/t11-,12-/m0/s1
InChIKeyCHEQIGGOSIAVFI-RYUDHWBXSA-N
MW342.40 g/mol
LogP2.50
Rot. Bonds3

About [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone

[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 138635656) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID138635656
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CC[C@@H]2OCC[C@@H]21
InChIInChI=1S/C18H22N4O3/c1-10-13(17(23)22-7-3-12-11(22)4-8-24-12)14-15(21-18(2)5-6-18)19-9-20-16(14)25-10/h9,11-12H,3-8H2,1-2H3,(H,19,20,21)/t11-,12-/m0/s1
InChIKeyCHEQIGGOSIAVFI-RYUDHWBXSA-N
XLogP2.50
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone (CID 138635656) is [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CC[C@@H]2OCC[C@@H]21.
What is the InChIKey of [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is CHEQIGGOSIAVFI-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-10-13(17(23)22-7-3-12-11(22)4-8-24-12)14-15(21-18(2)5-6-18)19-9-20-16(14)25-10/h9,11-12H,3-8H2,1-2H3,(H,19,20,21)/t11-,12-/m0/s1.
What are the key properties of [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone?
[(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 138635656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).