N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C15H20N4O5 — CID 156586450

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H20N4O5/c20-11-8-24-12-10(7-23-13(11)12)18-14(21)9-5-16-15(17-6-9)19-1-3-22-4-2-19/h5-6,10-13,20H,1-4,7-8H2,(H,18,21)/t10-,11-,12-,13-/m1/s1
InChIKeyHWSFITJINNMWOR-FDYHWXHSSA-N
MW336.35 g/mol
LogP-1.43
Rot. Bonds3

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 156586450) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID156586450
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C15H20N4O5/c20-11-8-24-12-10(7-23-13(11)12)18-14(21)9-5-16-15(17-6-9)19-1-3-22-4-2-19/h5-6,10-13,20H,1-4,7-8H2,(H,18,21)/t10-,11-,12-,13-/m1/s1
InChIKeyHWSFITJINNMWOR-FDYHWXHSSA-N
XLogP-1.43
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(3S,3aR,6S,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 155913999
ethyl 4-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 109252241
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-morpholin-4-ylpyrimidin-5-yl)methanone
CID 56875888
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 156585551
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 156585287
N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 167817937
methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109252285
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978
2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252305
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-methyl-4-oxoquinazoline-7-carboxamide
CID 146040739

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 156586450) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is HWSFITJINNMWOR-FDYHWXHSSA-N. The full InChI is InChI=1S/C15H20N4O5/c20-11-8-24-12-10(7-23-13(11)12)18-14(21)9-5-16-15(17-6-9)19-1-3-22-4-2-19/h5-6,10-13,20H,1-4,7-8H2,(H,18,21)/t10-,11-,12-,13-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 336.35 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 156586450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).