3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione

C15H17N3O2 — CID 90489789

IUPAC3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(=O)cc(N3CCCC3)[nH]c2=O)c1
InChIInChI=1S/C15H17N3O2/c1-11-5-4-6-12(9-11)18-14(19)10-13(16-15(18)20)17-7-2-3-8-17/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,20)
InChIKeyIZJNGHIQSPJMFH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.43
Rot. Bonds2

About 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione

3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione (PubChem CID 90489789) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
PubChem CID90489789
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
SMILESCc1cccc(-n2c(=O)cc(N3CCCC3)[nH]c2=O)c1
InChIInChI=1S/C15H17N3O2/c1-11-5-4-6-12(9-11)18-14(19)10-13(16-15(18)20)17-7-2-3-8-17/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,20)
InChIKeyIZJNGHIQSPJMFH-UHFFFAOYSA-N
XLogP1.43
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione (CID 90489789) is 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione is Cc1cccc(-n2c(=O)cc(N3CCCC3)[nH]c2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The InChIKey is IZJNGHIQSPJMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-5-4-6-12(9-11)18-14(19)10-13(16-15(18)20)17-7-2-3-8-17/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,20).
What are the key properties of 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione has a molecular weight of 271.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90489789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).