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

C12H13N5O3 — CID 118712154

IUPAC7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O
InChIInChI=1S/C12H13N5O3/c1-16-11(19)7-4-6(9(14)18)8(13)15-10(7)17(12(16)20)5-2-3-5/h4-5H,2-3H2,1H3,(H2,13,15)(H2,14,18)
InChIKeyDWZCQDWCCGVJFV-UHFFFAOYSA-N
MW275.27 g/mol
LogP-0.89
Rot. Bonds2

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

7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 118712154) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID118712154
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O
InChIInChI=1S/C12H13N5O3/c1-16-11(19)7-4-6(9(14)18)8(13)15-10(7)17(12(16)20)5-2-3-5/h4-5H,2-3H2,1H3,(H2,13,15)(H2,14,18)
InChIKeyDWZCQDWCCGVJFV-UHFFFAOYSA-N
XLogP-0.89
TPSA126.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 118712154) is 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O.
What is the InChIKey of 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DWZCQDWCCGVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-16-11(19)7-4-6(9(14)18)8(13)15-10(7)17(12(16)20)5-2-3-5/h4-5H,2-3H2,1H3,(H2,13,15)(H2,14,18).
What are the key properties of 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 275.27 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-cyclopropyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 118712154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).