3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione

C16H19N3O3 — CID 3239383

IUPAC3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)cc(NCC2CCCO2)[nH]c1=O
InChIInChI=1S/C16H19N3O3/c1-11-5-2-3-7-13(11)19-15(20)9-14(18-16(19)21)17-10-12-6-4-8-22-12/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3,(H,18,21)
InChIKeyCKZCWPIAIASRSW-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.43
Rot. Bonds4

About 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione

3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 3239383) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
PubChem CID3239383
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)cc(NCC2CCCO2)[nH]c1=O
InChIInChI=1S/C16H19N3O3/c1-11-5-2-3-7-13(11)19-15(20)9-14(18-16(19)21)17-10-12-6-4-8-22-12/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3,(H,18,21)
InChIKeyCKZCWPIAIASRSW-UHFFFAOYSA-N
XLogP1.43
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione (CID 3239383) is 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione is Cc1ccccc1-n1c(=O)cc(NCC2CCCO2)[nH]c1=O.
What is the InChIKey of 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is CKZCWPIAIASRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-5-2-3-7-13(11)19-15(20)9-14(18-16(19)21)17-10-12-6-4-8-22-12/h2-3,5,7,9,12,17H,4,6,8,10H2,1H3,(H,18,21).
What are the key properties of 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione?
3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3239383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).