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

C17H16N4O2 — CID 90489777

IUPAC3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)cc(NCc2cccnc2)[nH]c1=O
InChIInChI=1S/C17H16N4O2/c1-12-5-2-3-7-14(12)21-16(22)9-15(20-17(21)23)19-11-13-6-4-8-18-10-13/h2-10,19H,11H2,1H3,(H,20,23)
InChIKeyQJBPSBMJQOMZCH-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.84
Rot. Bonds4

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

3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 90489777) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione
PubChem CID90489777
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)cc(NCc2cccnc2)[nH]c1=O
InChIInChI=1S/C17H16N4O2/c1-12-5-2-3-7-14(12)21-16(22)9-15(20-17(21)23)19-11-13-6-4-8-18-10-13/h2-10,19H,11H2,1H3,(H,20,23)
InChIKeyQJBPSBMJQOMZCH-UHFFFAOYSA-N
XLogP1.84
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(benzylamino)-3-(1,2-oxazol-3-yl)-1H-pyrimidine-2,4-dione
CID 144763345
5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281597
1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 42880908
6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410705
2,4-dimethyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 104757609
6-methyl-N-(2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329896
6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109121003
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
6-(4-ethylphenyl)-2-(pyridin-3-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333253
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione (CID 90489777) is 3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione is Cc1ccccc1-n1c(=O)cc(NCc2cccnc2)[nH]c1=O.
What is the InChIKey of 3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is QJBPSBMJQOMZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-5-2-3-7-14(12)21-16(22)9-15(20-17(21)23)19-11-13-6-4-8-18-10-13/h2-10,19H,11H2,1H3,(H,20,23).
What are the key properties of 3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione?
3-(2-methylphenyl)-6-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 308.34 g/mol, XLogP of 1.84, 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-(pyridin-3-ylmethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90489777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).