N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide

C16H22N4O2 — CID 97420647

IUPACN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NC[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C16H22N4O2/c21-14(6-12-2-3-12)19-9-16-10-20(7-13(16)8-22-11-16)15-17-4-1-5-18-15/h1,4-5,12-13H,2-3,6-11H2,(H,19,21)/t13-,16+/m1/s1
InChIKeyKZSUUAJDLHYLSC-CJNGLKHVSA-N
MW302.38 g/mol
LogP0.85
Rot. Bonds5

About N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide

N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide (PubChem CID 97420647) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide
PubChem CID97420647
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NC[C@]12COC[C@H]1CN(c1ncccn1)C2
InChIInChI=1S/C16H22N4O2/c21-14(6-12-2-3-12)19-9-16-10-20(7-13(16)8-22-11-16)15-17-4-1-5-18-15/h1,4-5,12-13H,2-3,6-11H2,(H,19,21)/t13-,16+/m1/s1
InChIKeyKZSUUAJDLHYLSC-CJNGLKHVSA-N
XLogP0.85
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide (CID 97420647) is N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide is O=C(CC1CC1)NC[C@]12COC[C@H]1CN(c1ncccn1)C2.
What is the InChIKey of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide?
The InChIKey is KZSUUAJDLHYLSC-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-14(6-12-2-3-12)19-9-16-10-20(7-13(16)8-22-11-16)15-17-4-1-5-18-15/h1,4-5,12-13H,2-3,6-11H2,(H,19,21)/t13-,16+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide?
N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide has a molecular weight of 302.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-cyclopropylacetamide is sourced from PubChem (CID 97420647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).