N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide

C14H22N4O2 — CID 79400749

IUPACN-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
SMILESCCOc1ncnc(NCCCC(=O)NC2CC2)c1C
InChIInChI=1S/C14H22N4O2/c1-3-20-14-10(2)13(16-9-17-14)15-8-4-5-12(19)18-11-6-7-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyULXGBIMWPUIQCO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.65
Rot. Bonds8

About N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide

N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide (PubChem CID 79400749) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
PubChem CID79400749
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
SMILESCCOc1ncnc(NCCCC(=O)NC2CC2)c1C
InChIInChI=1S/C14H22N4O2/c1-3-20-14-10(2)13(16-9-17-14)15-8-4-5-12(19)18-11-6-7-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyULXGBIMWPUIQCO-UHFFFAOYSA-N
XLogP1.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
N-cyclopropyl-3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide
CID 80922661
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 66325613
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970
N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
CID 112730894
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 104507008
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
3-[2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83114298
4-[(6-amino-5-nitropyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 80849403

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide (CID 79400749) is N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide is CCOc1ncnc(NCCCC(=O)NC2CC2)c1C.
What is the InChIKey of N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide?
The InChIKey is ULXGBIMWPUIQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-20-14-10(2)13(16-9-17-14)15-8-4-5-12(19)18-11-6-7-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide?
N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide has a molecular weight of 278.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 79400749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).