6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione

C12H16N4O2 — CID 63773438

IUPAC6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2cc(CN)cnc21
InChIInChI=1S/C12H16N4O2/c1-7(2)6-16-10-9(11(17)15-12(16)18)3-8(4-13)5-14-10/h3,5,7H,4,6,13H2,1-2H3,(H,15,17,18)
InChIKeyZVKJPXINXHDNLN-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.20
Rot. Bonds3

About 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione

6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 63773438) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID63773438
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2cc(CN)cnc21
InChIInChI=1S/C12H16N4O2/c1-7(2)6-16-10-9(11(17)15-12(16)18)3-8(4-13)5-14-10/h3,5,7H,4,6,13H2,1-2H3,(H,15,17,18)
InChIKeyZVKJPXINXHDNLN-UHFFFAOYSA-N
XLogP0.20
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 63773438) is 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)[nH]c(=O)c2cc(CN)cnc21.
What is the InChIKey of 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZVKJPXINXHDNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)6-16-10-9(11(17)15-12(16)18)3-8(4-13)5-14-10/h3,5,7H,4,6,13H2,1-2H3,(H,15,17,18).
What are the key properties of 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 248.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 63773438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).