5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C11H14N4O3 — CID 14304689

IUPAC5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(NCCO)ccnc2n(C)c1=O
InChIInChI=1S/C11H14N4O3/c1-14-9-8(10(17)15(2)11(14)18)7(3-4-13-9)12-5-6-16/h3-4,16H,5-6H2,1-2H3,(H,12,13)
InChIKeyHROLWZDDMADHEQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.96
Rot. Bonds3

About 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 14304689) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID14304689
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(NCCO)ccnc2n(C)c1=O
InChIInChI=1S/C11H14N4O3/c1-14-9-8(10(17)15(2)11(14)18)7(3-4-13-9)12-5-6-16/h3-4,16H,5-6H2,1-2H3,(H,12,13)
InChIKeyHROLWZDDMADHEQ-UHFFFAOYSA-N
XLogP-0.96
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 14304689) is 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(NCCO)ccnc2n(C)c1=O.
What is the InChIKey of 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HROLWZDDMADHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-14-9-8(10(17)15(2)11(14)18)7(3-4-13-9)12-5-6-16/h3-4,16H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 250.26 g/mol, XLogP of -0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 14304689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).