N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide

C16H18N6O2 — CID 97460464

IUPACN-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CN(c2ncccn2)[C@@H]2CCCO[C@@H]21)c1cnccn1
InChIInChI=1S/C16H18N6O2/c23-15(11-9-17-6-7-18-11)21-12-10-22(16-19-4-2-5-20-16)13-3-1-8-24-14(12)13/h2,4-7,9,12-14H,1,3,8,10H2,(H,21,23)/t12-,13-,14-/m1/s1
InChIKeyRUNLHHFPPNANGT-MGPQQGTHSA-N
MW326.36 g/mol
LogP0.43
Rot. Bonds3

About N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide

N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide (PubChem CID 97460464) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
PubChem CID97460464
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CN(c2ncccn2)[C@@H]2CCCO[C@@H]21)c1cnccn1
InChIInChI=1S/C16H18N6O2/c23-15(11-9-17-6-7-18-11)21-12-10-22(16-19-4-2-5-20-16)13-3-1-8-24-14(12)13/h2,4-7,9,12-14H,1,3,8,10H2,(H,21,23)/t12-,13-,14-/m1/s1
InChIKeyRUNLHHFPPNANGT-MGPQQGTHSA-N
XLogP0.43
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide (CID 97460464) is N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CN(c2ncccn2)[C@@H]2CCCO[C@@H]21)c1cnccn1.
What is the InChIKey of N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The InChIKey is RUNLHHFPPNANGT-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-15(11-9-17-6-7-18-11)21-12-10-22(16-19-4-2-5-20-16)13-3-1-8-24-14(12)13/h2,4-7,9,12-14H,1,3,8,10H2,(H,21,23)/t12-,13-,14-/m1/s1.
What are the key properties of N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 97460464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).