(3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C17H19Cl2N3O2 — CID 174291917

IUPAC(3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESClC1=CCCC(Cl)=C1COc1cnc(N2C[C@H]3COC[C@H]3C2)nc1
InChIInChI=1S/C17H19Cl2N3O2/c18-15-2-1-3-16(19)14(15)10-24-13-4-20-17(21-5-13)22-6-11-8-23-9-12(11)7-22/h2,4-5,11-12H,1,3,6-10H2/t11-,12+
InChIKeyZUJWOZWVFWERAY-TXEJJXNPSA-N
MW368.26 g/mol
LogP3.35
Rot. Bonds4

About (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

(3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 174291917) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID174291917
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name(3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESClC1=CCCC(Cl)=C1COc1cnc(N2C[C@H]3COC[C@H]3C2)nc1
InChIInChI=1S/C17H19Cl2N3O2/c18-15-2-1-3-16(19)14(15)10-24-13-4-20-17(21-5-13)22-6-11-8-23-9-12(11)7-22/h2,4-5,11-12H,1,3,6-10H2/t11-,12+
InChIKeyZUJWOZWVFWERAY-TXEJJXNPSA-N
XLogP3.35
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,6aR)-2-[5-[(E,2E)-3-chloro-2-(1-chloroethylidene)pent-3-enoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 174291914

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 174291917) is (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is ClC1=CCCC(Cl)=C1COc1cnc(N2C[C@H]3COC[C@H]3C2)nc1.
What is the InChIKey of (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is ZUJWOZWVFWERAY-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c18-15-2-1-3-16(19)14(15)10-24-13-4-20-17(21-5-13)22-6-11-8-23-9-12(11)7-22/h2,4-5,11-12H,1,3,6-10H2/t11-,12+.
What are the key properties of (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
(3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 368.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-[5-[(2,6-dichlorocyclohexa-1,5-dien-1-yl)methoxy]pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 174291917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).