(2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

C15H22N4O4 — CID 134690089

IUPAC(2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC2C(CCN2c2cc(OC)ncn2)O1
InChIInChI=1S/C15H22N4O4/c1-21-6-4-16-15(20)12-7-10-11(23-12)3-5-19(10)13-8-14(22-2)18-9-17-13/h8-12H,3-7H2,1-2H3,(H,16,20)/t10?,11?,12-/m0/s1
InChIKeyFYFFEJAHBUZSBB-MCIGGMRASA-N
MW322.37 g/mol
LogP-0.02
Rot. Bonds6

About (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide

(2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 134690089) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID134690089
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1CC2C(CCN2c2cc(OC)ncn2)O1
InChIInChI=1S/C15H22N4O4/c1-21-6-4-16-15(20)12-7-10-11(23-12)3-5-19(10)13-8-14(22-2)18-9-17-13/h8-12H,3-7H2,1-2H3,(H,16,20)/t10?,11?,12-/m0/s1
InChIKeyFYFFEJAHBUZSBB-MCIGGMRASA-N
XLogP-0.02
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide (CID 134690089) is (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is COCCNC(=O)[C@@H]1CC2C(CCN2c2cc(OC)ncn2)O1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is FYFFEJAHBUZSBB-MCIGGMRASA-N. The full InChI is InChI=1S/C15H22N4O4/c1-21-6-4-16-15(20)12-7-10-11(23-12)3-5-19(10)13-8-14(22-2)18-9-17-13/h8-12H,3-7H2,1-2H3,(H,16,20)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide?
(2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-4-(6-methoxypyrimidin-4-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 134690089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).