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

C16H17N5O2 — CID 16845380

IUPAC6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1Nc1ccncc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H17N5O2/c1-4-10-9-18-14-12(15(22)21(3)16(23)20(14)2)13(10)19-11-5-7-17-8-6-11/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyRBCKABIYHKJPPW-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.33
Rot. Bonds3

About 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione

6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845380) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845380
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1Nc1ccncc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H17N5O2/c1-4-10-9-18-14-12(15(22)21(3)16(23)20(14)2)13(10)19-11-5-7-17-8-6-11/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyRBCKABIYHKJPPW-UHFFFAOYSA-N
XLogP1.33
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 16845380) is 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1Nc1ccncc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RBCKABIYHKJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-10-9-18-14-12(15(22)21(3)16(23)20(14)2)13(10)19-11-5-7-17-8-6-11/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 311.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).