7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C12H15N5O3 — CID 118711588

IUPAC7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(=O)c2cc(C(N)=O)c(N)nc2n(CC)c1=O
InChIInChI=1S/C12H15N5O3/c1-3-16-10-7(11(19)17(4-2)12(16)20)5-6(9(14)18)8(13)15-10/h5H,3-4H2,1-2H3,(H2,13,15)(H2,14,18)
InChIKeyRULFHTRXYPKNLX-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.72
Rot. Bonds3

About 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 118711588) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID118711588
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCn1c(=O)c2cc(C(N)=O)c(N)nc2n(CC)c1=O
InChIInChI=1S/C12H15N5O3/c1-3-16-10-7(11(19)17(4-2)12(16)20)5-6(9(14)18)8(13)15-10/h5H,3-4H2,1-2H3,(H2,13,15)(H2,14,18)
InChIKeyRULFHTRXYPKNLX-UHFFFAOYSA-N
XLogP-0.72
TPSA126.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 118711588) is 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(CC)c1=O.
What is the InChIKey of 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RULFHTRXYPKNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-3-16-10-7(11(19)17(4-2)12(16)20)5-6(9(14)18)8(13)15-10/h5H,3-4H2,1-2H3,(H2,13,15)(H2,14,18).
What are the key properties of 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,3-diethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118711588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).