1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C12H16N4O2 — CID 3086960

IUPAC1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Nc1ccnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C12H16N4O2/c1-7(2)14-8-5-6-13-10-9(8)11(17)16(4)12(18)15(10)3/h5-7H,1-4H3,(H,13,14)
InChIKeyLIXZZDLGCZFRFO-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.45
Rot. Bonds2

About 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 3086960) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID3086960
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Nc1ccnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C12H16N4O2/c1-7(2)14-8-5-6-13-10-9(8)11(17)16(4)12(18)15(10)3/h5-7H,1-4H3,(H,13,14)
InChIKeyLIXZZDLGCZFRFO-UHFFFAOYSA-N
XLogP0.45
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 3086960) is 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)Nc1ccnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LIXZZDLGCZFRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7(2)14-8-5-6-13-10-9(8)11(17)16(4)12(18)15(10)3/h5-7H,1-4H3,(H,13,14).
What are the key properties of 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 248.29 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3086960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).