2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

C21H20N4O3 — CID 135621321

IUPAC2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccccc1COc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1
InChIInChI=1S/C21H20N4O3/c1-12-4-2-3-5-14(12)11-28-15-8-6-13(7-9-15)16-10-17(26)23-19-18(16)20(27)25-21(22)24-19/h2-9,16H,10-11H2,1H3,(H4,22,23,24,25,26,27)
InChIKeyBYCAFARESPOOPK-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 135621321) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID135621321
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1ccccc1COc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1
InChIInChI=1S/C21H20N4O3/c1-12-4-2-3-5-14(12)11-28-15-8-6-13(7-9-15)16-10-17(26)23-19-18(16)20(27)25-21(22)24-19/h2-9,16H,10-11H2,1H3,(H4,22,23,24,25,26,27)
InChIKeyBYCAFARESPOOPK-UHFFFAOYSA-N
XLogP2.71
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione (CID 135621321) is 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is Cc1ccccc1COc1ccc(C2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1.
What is the InChIKey of 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is BYCAFARESPOOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12-4-2-3-5-14(12)11-28-15-8-6-13(7-9-15)16-10-17(26)23-19-18(16)20(27)25-21(22)24-19/h2-9,16H,10-11H2,1H3,(H4,22,23,24,25,26,27).
What are the key properties of 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione?
2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 376.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[(2-methylphenyl)methoxy]phenyl]-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 135621321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).