1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione

C15H15N5O3 — CID 163362287

IUPAC1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(Nc3ccccn3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C15H15N5O3/c1-18-11(21)8-9(17-10-6-4-5-7-16-10)12-13(18)19(2)15(23)20(3)14(12)22/h4-8H,1-3H3,(H,16,17)
InChIKeyCMZNFAMWEOJIMD-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.07
Rot. Bonds2

About 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione

1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 163362287) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID163362287
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)c2c(Nc3ccccn3)cc(=O)n(C)c2n(C)c1=O
InChIInChI=1S/C15H15N5O3/c1-18-11(21)8-9(17-10-6-4-5-7-16-10)12-13(18)19(2)15(23)20(3)14(12)22/h4-8H,1-3H3,(H,16,17)
InChIKeyCMZNFAMWEOJIMD-UHFFFAOYSA-N
XLogP0.07
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 163362287) is 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)c2c(Nc3ccccn3)cc(=O)n(C)c2n(C)c1=O.
What is the InChIKey of 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is CMZNFAMWEOJIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-18-11(21)8-9(17-10-6-4-5-7-16-10)12-13(18)19(2)15(23)20(3)14(12)22/h4-8H,1-3H3,(H,16,17).
What are the key properties of 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione?
1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 313.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trimethyl-5-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 163362287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).