6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione

C14H23ClN2O2 — CID 113404299

IUPAC6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(Cl)[nH]c(=O)n(CC(C)C(C)(C)C)c1=O
InChIInChI=1S/C14H23ClN2O2/c1-8(2)10-11(15)16-13(19)17(12(10)18)7-9(3)14(4,5)6/h8-9H,7H2,1-6H3,(H,16,19)
InChIKeyBXQBENKCHNTSEX-UHFFFAOYSA-N
MW286.80 g/mol
LogP3.00
Rot. Bonds3

About 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione

6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione (PubChem CID 113404299) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione
PubChem CID113404299
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(Cl)[nH]c(=O)n(CC(C)C(C)(C)C)c1=O
InChIInChI=1S/C14H23ClN2O2/c1-8(2)10-11(15)16-13(19)17(12(10)18)7-9(3)14(4,5)6/h8-9H,7H2,1-6H3,(H,16,19)
InChIKeyBXQBENKCHNTSEX-UHFFFAOYSA-N
XLogP3.00
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione (CID 113404299) is 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione is CC(C)c1c(Cl)[nH]c(=O)n(CC(C)C(C)(C)C)c1=O.
What is the InChIKey of 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is BXQBENKCHNTSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-8(2)10-11(15)16-13(19)17(12(10)18)7-9(3)14(4,5)6/h8-9H,7H2,1-6H3,(H,16,19).
What are the key properties of 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 286.80 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-propan-2-yl-3-(2,3,3-trimethylbutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).