4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one

C13H18N4O — CID 91812686

IUPAC4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCNc1ncnc2c1ccc(=O)n2CC
InChIInChI=1S/C13H18N4O/c1-3-5-8-14-12-10-6-7-11(18)17(4-2)13(10)16-9-15-12/h6-7,9H,3-5,8H2,1-2H3,(H,14,15,16)
InChIKeySYBNDKFWQXRJIN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.02
Rot. Bonds5

About 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one

4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 91812686) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID91812686
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCNc1ncnc2c1ccc(=O)n2CC
InChIInChI=1S/C13H18N4O/c1-3-5-8-14-12-10-6-7-11(18)17(4-2)13(10)16-9-15-12/h6-7,9H,3-5,8H2,1-2H3,(H,14,15,16)
InChIKeySYBNDKFWQXRJIN-UHFFFAOYSA-N
XLogP2.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
3-[4-(butylamino)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium
CID 7641893
1-(3-bromophenyl)-N-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432149
N-(3-butoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431867
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
N-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine
CID 175603327
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 91812686) is 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCCCNc1ncnc2c1ccc(=O)n2CC.
What is the InChIKey of 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SYBNDKFWQXRJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-8-14-12-10-6-7-11(18)17(4-2)13(10)16-9-15-12/h6-7,9H,3-5,8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 246.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 91812686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).