7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C19H20N6O2 — CID 166291984

IUPAC7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCc1cc(N2CCc3c([nH]c(=O)[nH]c3=O)C2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H20N6O2/c1-12-10-16(22-18(20-12)24(2)13-6-4-3-5-7-13)25-9-8-14-15(11-25)21-19(27)23-17(14)26/h3-7,10H,8-9,11H2,1-2H3,(H2,21,23,26,27)
InChIKeyJEVLGNKGXOOUEK-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.49
Rot. Bonds3

About 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 166291984) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID166291984
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCc1cc(N2CCc3c([nH]c(=O)[nH]c3=O)C2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H20N6O2/c1-12-10-16(22-18(20-12)24(2)13-6-4-3-5-7-13)25-9-8-14-15(11-25)21-19(27)23-17(14)26/h3-7,10H,8-9,11H2,1-2H3,(H2,21,23,26,27)
InChIKeyJEVLGNKGXOOUEK-UHFFFAOYSA-N
XLogP1.49
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 166291984) is 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is Cc1cc(N2CCc3c([nH]c(=O)[nH]c3=O)C2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is JEVLGNKGXOOUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-10-16(22-18(20-12)24(2)13-6-4-3-5-7-13)25-9-8-14-15(11-25)21-19(27)23-17(14)26/h3-7,10H,8-9,11H2,1-2H3,(H2,21,23,26,27).
What are the key properties of 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166291984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).