N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide

C13H18N6O — CID 112730894

IUPACN-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
SMILESCn1ncc2c(NCCCC(=O)NC3CC3)ncnc21
InChIInChI=1S/C13H18N6O/c1-19-13-10(7-17-19)12(15-8-16-13)14-6-2-3-11(20)18-9-4-5-9/h7-9H,2-6H2,1H3,(H,18,20)(H,14,15,16)
InChIKeySPXQFCYOZQTJHS-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.83
Rot. Bonds6

About N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide

N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide (PubChem CID 112730894) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
PubChem CID112730894
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
SMILESCn1ncc2c(NCCCC(=O)NC3CC3)ncnc21
InChIInChI=1S/C13H18N6O/c1-19-13-10(7-17-19)12(15-8-16-13)14-6-2-3-11(20)18-9-4-5-9/h7-9H,2-6H2,1H3,(H,18,20)(H,14,15,16)
InChIKeySPXQFCYOZQTJHS-UHFFFAOYSA-N
XLogP0.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide with MolForge

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Related Compounds

2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 94434572
N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 115306725
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66005488
N-cyclohexyl-3-[(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanamide
CID 70756161
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
N-(3-butoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431867
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 79400749

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide (CID 112730894) is N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide is Cn1ncc2c(NCCCC(=O)NC3CC3)ncnc21.
What is the InChIKey of N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide?
The InChIKey is SPXQFCYOZQTJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-19-13-10(7-17-19)12(15-8-16-13)14-6-2-3-11(20)18-9-4-5-9/h7-9H,2-6H2,1H3,(H,18,20)(H,14,15,16).
What are the key properties of N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide?
N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide has a molecular weight of 274.33 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 112730894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).