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

C12H16N4O2 — CID 19071384

IUPAC3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2nccc(NC(C)C)c2c1=O
InChIInChI=1S/C12H16N4O2/c1-4-16-11(17)9-8(14-7(2)3)5-6-13-10(9)15-12(16)18/h5-7H,4H2,1-3H3,(H2,13,14,15,18)
InChIKeyMTVLZQUCEUDPBB-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.93
Rot. Bonds3

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

3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 19071384) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID19071384
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2nccc(NC(C)C)c2c1=O
InChIInChI=1S/C12H16N4O2/c1-4-16-11(17)9-8(14-7(2)3)5-6-13-10(9)15-12(16)18/h5-7H,4H2,1-3H3,(H2,13,14,15,18)
InChIKeyMTVLZQUCEUDPBB-UHFFFAOYSA-N
XLogP0.93
TPSA79.78 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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 19071384) is 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c2nccc(NC(C)C)c2c1=O.
What is the InChIKey of 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MTVLZQUCEUDPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-16-11(17)9-8(14-7(2)3)5-6-13-10(9)15-12(16)18/h5-7H,4H2,1-3H3,(H2,13,14,15,18).
What are the key properties of 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 248.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(propan-2-ylamino)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 19071384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).