6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione

C20H26N2O3 — CID 142656423

IUPAC6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CC2(CCO)CC2)c1=O
InChIInChI=1S/C20H26N2O3/c1-14(2)17-16(12-15-6-4-3-5-7-15)21-19(25)22(18(17)24)13-20(8-9-20)10-11-23/h3-7,14,23H,8-13H2,1-2H3,(H,21,25)
InChIKeyHXBMWYVPDKUPFF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.41
Rot. Bonds7

About 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione

6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 142656423) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID142656423
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CC2(CCO)CC2)c1=O
InChIInChI=1S/C20H26N2O3/c1-14(2)17-16(12-15-6-4-3-5-7-15)21-19(25)22(18(17)24)13-20(8-9-20)10-11-23/h3-7,14,23H,8-13H2,1-2H3,(H,21,25)
InChIKeyHXBMWYVPDKUPFF-UHFFFAOYSA-N
XLogP2.41
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione (CID 142656423) is 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)c1c(Cc2ccccc2)[nH]c(=O)n(CC2(CCO)CC2)c1=O.
What is the InChIKey of 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is HXBMWYVPDKUPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)17-16(12-15-6-4-3-5-7-15)21-19(25)22(18(17)24)13-20(8-9-20)10-11-23/h3-7,14,23H,8-13H2,1-2H3,(H,21,25).
What are the key properties of 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione?
6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 342.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 142656423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).