6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione

C11H13N3O2 — CID 122543619

IUPAC6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCc1cc2cn(C(C)C)c(=O)nc2[nH]c1=O
InChIInChI=1S/C11H13N3O2/c1-6(2)14-5-8-4-7(3)10(15)12-9(8)13-11(14)16/h4-6H,1-3H3,(H,12,13,15,16)
InChIKeyJLSHZVKBZNIVOP-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.97
Rot. Bonds1

About 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione

6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione (PubChem CID 122543619) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
PubChem CID122543619
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione
SMILESCc1cc2cn(C(C)C)c(=O)nc2[nH]c1=O
InChIInChI=1S/C11H13N3O2/c1-6(2)14-5-8-4-7(3)10(15)12-9(8)13-11(14)16/h4-6H,1-3H3,(H,12,13,15,16)
InChIKeyJLSHZVKBZNIVOP-UHFFFAOYSA-N
XLogP0.97
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The IUPAC name of 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione (CID 122543619) is 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione.
What is the SMILES notation for 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The canonical SMILES for 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione is Cc1cc2cn(C(C)C)c(=O)nc2[nH]c1=O.
What is the InChIKey of 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
The InChIKey is JLSHZVKBZNIVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6(2)14-5-8-4-7(3)10(15)12-9(8)13-11(14)16/h4-6H,1-3H3,(H,12,13,15,16).
What are the key properties of 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione?
6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione has a molecular weight of 219.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-8H-pyrido[2,3-d]pyrimidine-2,7-dione is sourced from PubChem (CID 122543619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).