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

C17H18N4O4 — CID 146040090

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-amino-4-phenylpyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O4/c18-17-19-6-10(13(21-17)9-4-2-1-3-5-9)16(23)20-11-7-24-15-12(22)8-25-14(11)15/h1-6,11-12,14-15,22H,7-8H2,(H,20,23)(H2,18,19,21)/t11-,12-,14-,15-/m1/s1
InChIKeyOOYWPVYWZMROMI-QHSBEEBCSA-N
MW342.36 g/mol
LogP-0.02
Rot. Bonds3

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

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-amino-4-phenylpyrimidine-5-carboxamide (PubChem CID 146040090) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 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-amino-4-phenylpyrimidine-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-amino-4-phenylpyrimidine-5-carboxamide
PubChem CID146040090
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-amino-4-phenylpyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c(-c2ccccc2)n1
InChIInChI=1S/C17H18N4O4/c18-17-19-6-10(13(21-17)9-4-2-1-3-5-9)16(23)20-11-7-24-15-12(22)8-25-14(11)15/h1-6,11-12,14-15,22H,7-8H2,(H,20,23)(H2,18,19,21)/t11-,12-,14-,15-/m1/s1
InChIKeyOOYWPVYWZMROMI-QHSBEEBCSA-N
XLogP-0.02
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-amino-N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-phenylpyrimidine-5-carboxamide
CID 90647424
2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide
CID 118769446
N-[(3S,7S,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-amino-4-phenylpyrimidine-5-carboxamide
CID 155509787
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
methyl 2-amino-4-phenylpyrimidine-5-carboxylate
CID 15398885
1-(2-amino-4-phenylpyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 15851436
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 156586340
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 146045900
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 155912039
(2-amino-4-phenylpyrimidin-5-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70758350
2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74249805
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2H-tetrazol-5-yl)benzamide;formic acid
CID 163341810

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-amino-4-phenylpyrimidine-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-amino-4-phenylpyrimidine-5-carboxamide (CID 146040090) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-amino-4-phenylpyrimidine-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-amino-4-phenylpyrimidine-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-amino-4-phenylpyrimidine-5-carboxamide is Nc1ncc(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c(-c2ccccc2)n1.
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-amino-4-phenylpyrimidine-5-carboxamide?
The InChIKey is OOYWPVYWZMROMI-QHSBEEBCSA-N. The full InChI is InChI=1S/C17H18N4O4/c18-17-19-6-10(13(21-17)9-4-2-1-3-5-9)16(23)20-11-7-24-15-12(22)8-25-14(11)15/h1-6,11-12,14-15,22H,7-8H2,(H,20,23)(H2,18,19,21)/t11-,12-,14-,15-/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-amino-4-phenylpyrimidine-5-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-amino-4-phenylpyrimidine-5-carboxamide has a molecular weight of 342.36 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 7 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-amino-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 146040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).