3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione

C19H24N2O2S — CID 70206748

IUPAC3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Sc2[nH]c(=O)n(CC3CC3)c(=O)c2C(C)C)c1
InChIInChI=1S/C19H24N2O2S/c1-11(2)16-17(24-15-8-12(3)7-13(4)9-15)20-19(23)21(18(16)22)10-14-5-6-14/h7-9,11,14H,5-6,10H2,1-4H3,(H,20,23)
InChIKeyVBRANIQUGYIXHT-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.84
Rot. Bonds5

About 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione

3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 70206748) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID70206748
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Sc2[nH]c(=O)n(CC3CC3)c(=O)c2C(C)C)c1
InChIInChI=1S/C19H24N2O2S/c1-11(2)16-17(24-15-8-12(3)7-13(4)9-15)20-19(23)21(18(16)22)10-14-5-6-14/h7-9,11,14H,5-6,10H2,1-4H3,(H,20,23)
InChIKeyVBRANIQUGYIXHT-UHFFFAOYSA-N
XLogP3.84
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione (CID 70206748) is 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione is Cc1cc(C)cc(Sc2[nH]c(=O)n(CC3CC3)c(=O)c2C(C)C)c1.
What is the InChIKey of 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is VBRANIQUGYIXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-11(2)16-17(24-15-8-12(3)7-13(4)9-15)20-19(23)21(18(16)22)10-14-5-6-14/h7-9,11,14H,5-6,10H2,1-4H3,(H,20,23).
What are the key properties of 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione?
3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 344.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-6-(3,5-dimethylphenyl)sulfanyl-5-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70206748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).