N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide

C13H20N4O2 — CID 112691755

IUPACN-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
SMILESCOc1cc(C)nc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-9-8-12(19-2)17-13(15-9)14-7-3-4-11(18)16-10-5-6-10/h8,10H,3-7H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyFOTPVNMFZDKPQU-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.26
Rot. Bonds7

About N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide

N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide (PubChem CID 112691755) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
PubChem CID112691755
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
SMILESCOc1cc(C)nc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C13H20N4O2/c1-9-8-12(19-2)17-13(15-9)14-7-3-4-11(18)16-10-5-6-10/h8,10H,3-7H2,1-2H3,(H,16,18)(H,14,15,17)
InChIKeyFOTPVNMFZDKPQU-UHFFFAOYSA-N
XLogP1.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide (CID 112691755) is N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide is COc1cc(C)nc(NCCCC(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide?
The InChIKey is FOTPVNMFZDKPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-8-12(19-2)17-13(15-9)14-7-3-4-11(18)16-10-5-6-10/h8,10H,3-7H2,1-2H3,(H,16,18)(H,14,15,17).
What are the key properties of N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide?
N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide has a molecular weight of 264.33 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 112691755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).