6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione

C19H23N3O4 — CID 163377852

IUPAC6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione
SMILESC[C@H](Nc1cc(=O)n(C2CCOCC2)c(=O)[nH]1)c1cccc2c1CCO2
InChIInChI=1S/C19H23N3O4/c1-12(14-3-2-4-16-15(14)7-10-26-16)20-17-11-18(23)22(19(24)21-17)13-5-8-25-9-6-13/h2-4,11-13,20H,5-10H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyXVBJZHLPACGOCB-LBPRGKRZSA-N
MW357.41 g/mol
LogP2.00
Rot. Bonds4

About 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione

6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 163377852) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID163377852
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione
SMILESC[C@H](Nc1cc(=O)n(C2CCOCC2)c(=O)[nH]1)c1cccc2c1CCO2
InChIInChI=1S/C19H23N3O4/c1-12(14-3-2-4-16-15(14)7-10-26-16)20-17-11-18(23)22(19(24)21-17)13-5-8-25-9-6-13/h2-4,11-13,20H,5-10H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyXVBJZHLPACGOCB-LBPRGKRZSA-N
XLogP2.00
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione (CID 163377852) is 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione is C[C@H](Nc1cc(=O)n(C2CCOCC2)c(=O)[nH]1)c1cccc2c1CCO2.
What is the InChIKey of 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is XVBJZHLPACGOCB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(14-3-2-4-16-15(14)7-10-26-16)20-17-11-18(23)22(19(24)21-17)13-5-8-25-9-6-13/h2-4,11-13,20H,5-10H2,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione?
6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(2,3-dihydro-1-benzofuran-4-yl)ethyl]amino]-3-(oxan-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163377852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).